AB67636
499-76-3 | 4-Hydroxy-3-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB67636
ChemicalName
4-Hydroxy-3-methylbenzoic acid
CasNumber
499-76-3
MolecularFormula
C8H8O3
MolecularWeight
152.1473
MdlNumber
MFCD02094739
Smiles
OC(=O)c1ccc(c(c1)C)O
Complexity
155
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.9
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CatalogNumber: AB67636
ChemicalName: 4-Hydroxy-3-methylbenzoic acid
CasNumber: 499-76-3
MolecularFormula: C8H8O3
MolecularWeight: 152.1473
MdlNumber: MFCD02094739
Smiles: OC(=O)c1ccc(c(c1)C)O
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AB67636
ChemicalName:
4-Hydroxy-3-methylbenzoic acid
CasNumber:
499-76-3
MolecularFormula:
C8H8O3
MolecularWeight:
152.1473
MdlNumber:
MFCD02094739
Smiles:
OC(=O)c1ccc(c(c1)C)O
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: AB67637
ChemicalName: 4-Hydroxy-3-nitrobenzaldehyde
CasNumber: 3011-34-5
MolecularFormula: C7H5NO4
MolecularWeight: 167.1189
MdlNumber: MFCD00007117
Smiles: O=Cc1ccc(c(c1)[N+](=O)[O-])O
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AB67637
ChemicalName:
4-Hydroxy-3-nitrobenzaldehyde
CasNumber:
3011-34-5
MolecularFormula:
C7H5NO4
MolecularWeight:
167.1189
MdlNumber:
MFCD00007117
Smiles:
O=Cc1ccc(c(c1)[N+](=O)[O-])O
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=N(=O)c1cc(ccc1O)[As](=O)(O)O
Complexity: 270
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=N(=O)c1cc(ccc1O)[As](=O)(O)O
Complexity:
270
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB67639
ChemicalName: 4-Hydroxy-3-nitrobenzoic acid
CasNumber: 616-82-0
MolecularFormula: C7H5NO5
MolecularWeight: 183.1183
MdlNumber: MFCD00007119
Smiles: OC(=O)c1ccc(c(c1)N(=O)=O)O
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB67639
ChemicalName:
4-Hydroxy-3-nitrobenzoic acid
CasNumber:
616-82-0
MolecularFormula:
C7H5NO5
MolecularWeight:
183.1183
MdlNumber:
MFCD00007119
Smiles:
OC(=O)c1ccc(c(c1)N(=O)=O)O
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2