AC37568
79128-78-2 | 2-Hydroxy-5-(methoxycarbonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC37568
ChemicalName
2-Hydroxy-5-(methoxycarbonyl)benzoic acid
CasNumber
79128-78-2
MolecularFormula
C9H8O5
MolecularWeight
196.15681999999995
MdlNumber
MFCD16987712
Smiles
COC(=O)c1ccc(c(c1)C(=O)O)O
Complexity
237
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AC37568
ChemicalName: 2-Hydroxy-5-(methoxycarbonyl)benzoic acid
CasNumber: 79128-78-2
MolecularFormula: C9H8O5
MolecularWeight: 196.15681999999995
MdlNumber: MFCD16987712
Smiles: COC(=O)c1ccc(c(c1)C(=O)O)O
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AC37568
ChemicalName:
2-Hydroxy-5-(methoxycarbonyl)benzoic acid
CasNumber:
79128-78-2
MolecularFormula:
C9H8O5
MolecularWeight:
196.15681999999995
MdlNumber:
MFCD16987712
Smiles:
COC(=O)c1ccc(c(c1)C(=O)O)O
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1sccc1NS(=O)(=O)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1sccc1NS(=O)(=O)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN/C(=N\C)/NCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Complexity: 619
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN/C(=N\C)/NCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Complexity:
619
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@@H](Oc2c(/C=C/c3ccc(cc3)O)cc(cc2O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@@H](Oc2c(/C=C/c3ccc(cc3)O)cc(cc2O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__