AB44121
915140-06-6 | 2-(Hydroxymethyl)isonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44121
ChemicalName
2-(Hydroxymethyl)isonicotinic acid
CasNumber
915140-06-6
MolecularFormula
C7H7NO3
MolecularWeight
153.1354
MdlNumber
MFCD11977439
Smiles
OCc1nccc(c1)C(=O)O
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.5
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CatalogNumber: AB44121
ChemicalName: 2-(Hydroxymethyl)isonicotinic acid
CasNumber: 915140-06-6
MolecularFormula: C7H7NO3
MolecularWeight: 153.1354
MdlNumber: MFCD11977439
Smiles: OCc1nccc(c1)C(=O)O
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.5
CatalogNumber:
AB44121
ChemicalName:
2-(Hydroxymethyl)isonicotinic acid
CasNumber:
915140-06-6
MolecularFormula:
C7H7NO3
MolecularWeight:
153.1354
MdlNumber:
MFCD11977439
Smiles:
OCc1nccc(c1)C(=O)O
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.5
CatalogNumber: AB44122
ChemicalName: 2-Oxo-1,2-dihydropyridine-3-carboxylic acid
CasNumber: 609-71-2
MolecularFormula: C6H5NO3
MolecularWeight: 139.1088
MdlNumber: MFCD00010100
Smiles: OC(=O)c1cccnc1O
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AB44122
ChemicalName:
2-Oxo-1,2-dihydropyridine-3-carboxylic acid
CasNumber:
609-71-2
MolecularFormula:
C6H5NO3
MolecularWeight:
139.1088
MdlNumber:
MFCD00010100
Smiles:
OC(=O)c1cccnc1O
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: AB44123
ChemicalName: 2-Hydroxyphenylacetic acid
CasNumber: 614-75-5
MolecularFormula: C8H8O3
MolecularWeight: 152.1473
MdlNumber: MFCD00004323
Smiles: OC(=O)Cc1ccccc1O
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AB44123
ChemicalName:
2-Hydroxyphenylacetic acid
CasNumber:
614-75-5
MolecularFormula:
C8H8O3
MolecularWeight:
152.1473
MdlNumber:
MFCD00004323
Smiles:
OC(=O)Cc1ccccc1O
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: AB44124
ChemicalName: 2-Hydroxyterephthalic acid
CasNumber: 636-94-2
MolecularFormula: C8H6O5
MolecularWeight: 182.1302
MdlNumber: MFCD09835368
Smiles: OC(=O)c1ccc(c(c1)O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB44124
ChemicalName:
2-Hydroxyterephthalic acid
CasNumber:
636-94-2
MolecularFormula:
C8H6O5
MolecularWeight:
182.1302
MdlNumber:
MFCD09835368
Smiles:
OC(=O)c1ccc(c(c1)O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__