CS-0452783
Methyl 5-cyano-2'-methyl-[1,1'-biphenyl]-2-carboxylate
Manufacturer: ChemScene
CAS Number: 478908-75-7
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₆H₁₃NO₂
Molecular Weight
251.28
Synonyms
methyl 5-cyano-2-methyl-[1,1-biphenyl]-2-carboxylate(WXG00306)
SMILES
C1(=CC=C(C(=C1)C2=C(C=CC=C2)C)C(=O)OC)C#N
Tpsa
50.09
Logp
3.3203
H Acceptors
3
H Donors
0
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 478908-75-7 | methyl4-cyano-2-(2-methylphenyl)benzoate | A2B Chem | -- |
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₃NO₂
Molecular Weight: 251.28
Synonyms: methyl 5-cyano-2-methyl-[1,1-biphenyl]-2-carboxylate(WXG00306)
SMILES: C1(=CC=C(C(=C1)C2=C(C=CC=C2)C)C(=O)OC)C#N
Tpsa: 50.09
Logp: 3.3203
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₃NO₂
Molecular Weight:
251.28
Synonyms:
methyl 5-cyano-2-methyl-[1,1-biphenyl]-2-carboxylate(WXG00306)
SMILES:
C1(=CC=C(C(=C1)C2=C(C=CC=C2)C)C(=O)OC)C#N
Tpsa:
50.09
Logp:
3.3203
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₆N₂O₂S
Molecular Weight: 192.28
Synonyms: None
SMILES: CS(=O)(=O)CCN1CCNCC1
Tpsa: 49.41
Logp: -1.0638
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₆N₂O₂S
Molecular Weight:
192.28
Synonyms:
None
SMILES:
CS(=O)(=O)CCN1CCNCC1
Tpsa:
49.41
Logp:
-1.0638
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₆O₄
Molecular Weight: 178.14
Synonyms: 4-Isobenzofurancarboxylic acid, 1,3-dihydro-1-oxo-
SMILES: C1=CC(=C2COC(=O)C2=C1)C(=O)O
Tpsa: 63.6
Logp: 1.0552
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₆O₄
Molecular Weight:
178.14
Synonyms:
4-Isobenzofurancarboxylic acid, 1,3-dihydro-1-oxo-
SMILES:
C1=CC(=C2COC(=O)C2=C1)C(=O)O
Tpsa:
63.6
Logp:
1.0552
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₆N₂O₈S
Molecular Weight: 314.23
Synonyms: flavianic acid hydrate
SMILES: C1=CC2=C(C=C(C(=C2C=C1S(=O)(=O)O)O)[N+](=O)[O-])[N+](=O)[O-]
Tpsa: 160.88
Logp: 1.6085
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₆N₂O₈S
Molecular Weight:
314.23
Synonyms:
flavianic acid hydrate
SMILES:
C1=CC2=C(C=C(C(=C2C=C1S(=O)(=O)O)O)[N+](=O)[O-])[N+](=O)[O-]
Tpsa:
160.88
Logp:
1.6085
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
3