AI51019
487-54-7 | 2-Hydroxyhippuric acid
Manufacturer: A2B Chem
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CatalogNumber
AI51019
ChemicalName
2-Hydroxyhippuric acid
CasNumber
487-54-7
MolecularFormula
C9H9NO4
MolecularWeight
195.17206000000002
MdlNumber
MFCD00002695
Smiles
OC(=O)CNC(=O)c1ccccc1O
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
0.9
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CatalogNumber: AI51019
ChemicalName: 2-Hydroxyhippuric acid
CasNumber: 487-54-7
MolecularFormula: C9H9NO4
MolecularWeight: 195.17206000000002
MdlNumber: MFCD00002695
Smiles: OC(=O)CNC(=O)c1ccccc1O
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: 0.9
CatalogNumber:
AI51019
ChemicalName:
2-Hydroxyhippuric acid
CasNumber:
487-54-7
MolecularFormula:
C9H9NO4
MolecularWeight:
195.17206000000002
MdlNumber:
MFCD00002695
Smiles:
OC(=O)CNC(=O)c1ccccc1O
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
0.9
CatalogNumber: AI51020
ChemicalName: 4-Hydroxybenzofuran-5-carboxylic acid
CasNumber: 487-56-9
MolecularFormula: C9H6O4
MolecularWeight: 178.1415
MdlNumber: MFCD15144246
Smiles: OC(=O)c1ccc2c(c1O)cco2
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AI51020
ChemicalName:
4-Hydroxybenzofuran-5-carboxylic acid
CasNumber:
487-56-9
MolecularFormula:
C9H6O4
MolecularWeight:
178.1415
MdlNumber:
MFCD15144246
Smiles:
OC(=O)c1ccc2c(c1O)cco2
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CCOC(=O)CCCN1CCN(CC1)C
Complexity: __
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Xlogp3: __
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Smiles:
CCOC(=O)CCCN1CCN(CC1)C
Complexity:
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Smiles: C1CCN(CC1)C1CCNCC1.Cl.Cl
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Smiles:
C1CCN(CC1)C1CCNCC1.Cl.Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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