AB18004
207671-42-9 | 2,4-Pyridinedicarboxylic acid monohydrate
Manufacturer: A2B Chem
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CatalogNumber
AB18004
ChemicalName
2,4-Pyridinedicarboxylic acid monohydrate
CasNumber
207671-42-9
MolecularFormula
C7H7NO5
MolecularWeight
185.1342
MdlNumber
MFCD00006296
Smiles
OC(=O)c1ccnc(c1)C(=O)O.O
Complexity
204
Covalently-bondedUnitCount
2
HeavyAtomCount
13
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
2
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CatalogNumber: AB18004
ChemicalName: 2,4-Pyridinedicarboxylic acid monohydrate
CasNumber: 207671-42-9
MolecularFormula: C7H7NO5
MolecularWeight: 185.1342
MdlNumber: MFCD00006296
Smiles: OC(=O)c1ccnc(c1)C(=O)O.O
Complexity: 204
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 2
CatalogNumber:
AB18004
ChemicalName:
2,4-Pyridinedicarboxylic acid monohydrate
CasNumber:
207671-42-9
MolecularFormula:
C7H7NO5
MolecularWeight:
185.1342
MdlNumber:
MFCD00006296
Smiles:
OC(=O)c1ccnc(c1)C(=O)O.O
Complexity:
204
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
2
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Smiles: [O-]P(=O)(OP(=O)(O)O)[O-].[Mg+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
[O-]P(=O)(OP(=O)(O)O)[O-].[Mg+2]
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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MdlNumber:
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Smiles:
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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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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: COc1cc(/C=C/C(=O)O)cc(c1)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cc(/C=C/C(=O)O)cc(c1)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__