AA79840
15785-54-3 | 4-Hydroxy-3-methoxy-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA79840
ChemicalName
4-Hydroxy-3-methoxy-5-nitrobenzoic acid
CasNumber
15785-54-3
MolecularFormula
C8H7NO6
MolecularWeight
213.1443
MdlNumber
MFCD06203146
Smiles
COc1cc(cc(c1O)[N+](=O)[O-])C(=O)O
Complexity
262
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AA79840
ChemicalName: 4-Hydroxy-3-methoxy-5-nitrobenzoic acid
CasNumber: 15785-54-3
MolecularFormula: C8H7NO6
MolecularWeight: 213.1443
MdlNumber: MFCD06203146
Smiles: COc1cc(cc(c1O)[N+](=O)[O-])C(=O)O
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AA79840
ChemicalName:
4-Hydroxy-3-methoxy-5-nitrobenzoic acid
CasNumber:
15785-54-3
MolecularFormula:
C8H7NO6
MolecularWeight:
213.1443
MdlNumber:
MFCD06203146
Smiles:
COc1cc(cc(c1O)[N+](=O)[O-])C(=O)O
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(C(=O)O)CC1CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(C(=O)O)CC1CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(C(=O)O)C1CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(C(=O)O)C1CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [Ce+].[Ce+3].[OH-].[OH-].[OH-].[OH-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[Ce+].[Ce+3].[OH-].[OH-].[OH-].[OH-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__