AB53178
533-75-5 | Tropolone
Manufacturer: A2B Chem
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CatalogNumber
AB53178
ChemicalName
Tropolone
CasNumber
533-75-5
MolecularFormula
C7H6O2
MolecularWeight
122.1213
MdlNumber
MFCD00004158
Smiles
Oc1cccccc1=O
NscNumber
89303
Complexity
209
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
Xlogp3
0.5
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CatalogNumber: AB53178
ChemicalName: Tropolone
CasNumber: 533-75-5
MolecularFormula: C7H6O2
MolecularWeight: 122.1213
MdlNumber: MFCD00004158
Smiles: Oc1cccccc1=O
NscNumber: 89303
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
Xlogp3: 0.5
CatalogNumber:
AB53178
ChemicalName:
Tropolone
CasNumber:
533-75-5
MolecularFormula:
C7H6O2
MolecularWeight:
122.1213
MdlNumber:
MFCD00004158
Smiles:
Oc1cccccc1=O
NscNumber:
89303
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
Xlogp3:
0.5
CatalogNumber: AB53179
ChemicalName: (10R,11R,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one
CasNumber: 518-28-5
MolecularFormula: C22H22O8
MolecularWeight: 414.4053
MdlNumber: MFCD00075290
Smiles: COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O
NscNumber: __
Complexity: 629
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
Xlogp3: 2
CatalogNumber:
AB53179
ChemicalName:
(10R,11R,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one
CasNumber:
518-28-5
MolecularFormula:
C22H22O8
MolecularWeight:
414.4053
MdlNumber:
MFCD00075290
Smiles:
COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O
NscNumber:
__
Complexity:
629
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](O)C
NscNumber: __
Complexity: 59.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: -0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](O)C
NscNumber:
__
Complexity:
59.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
-0.7