AB78754
31462-59-6 | Pyrimidine-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB78754
ChemicalName
Pyrimidine-4-carboxylic acid
CasNumber
31462-59-6
MolecularFormula
C5H4N2O2
MolecularWeight
124.0975
MdlNumber
MFCD00129737
Smiles
OC(=O)c1ccncn1
Complexity
116
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
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CatalogNumber: AB78754
ChemicalName: Pyrimidine-4-carboxylic acid
CasNumber: 31462-59-6
MolecularFormula: C5H4N2O2
MolecularWeight: 124.0975
MdlNumber: MFCD00129737
Smiles: OC(=O)c1ccncn1
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AB78754
ChemicalName:
Pyrimidine-4-carboxylic acid
CasNumber:
31462-59-6
MolecularFormula:
C5H4N2O2
MolecularWeight:
124.0975
MdlNumber:
MFCD00129737
Smiles:
OC(=O)c1ccncn1
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1cncnc1)O.OB(c1cncnc1)O.O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OB(c1cncnc1)O.OB(c1cncnc1)O.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCc1ccc[n+](c1C)Cc1cnc(nc1N)C.[Br-].Br
Complexity: __
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HeavyAtomCount: __
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CatalogNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
OCCc1ccc[n+](c1C)Cc1cnc(nc1N)C.[Br-].Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
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Smiles: Oc1c(O)ccc2c1Oc1c(O)c(O)ccc1C12OS(=O)(=O)c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1c(O)ccc2c1Oc1c(O)c(O)ccc1C12OS(=O)(=O)c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__