AH04223
6298-53-9 | 2-(6-Oxo-1H-purin-9(6H)-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AH04223
ChemicalName
2-(6-Oxo-1H-purin-9(6H)-yl)acetic acid
CasNumber
6298-53-9
MolecularFormula
C7H6N4O3
MolecularWeight
194.14754
MdlNumber
MFCD20640752
Smiles
OC(=O)Cn1cnc2c1nc[nH]c2=O
NscNumber
41848
Complexity
303
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.8
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CatalogNumber: AH04223
ChemicalName: 2-(6-Oxo-1H-purin-9(6H)-yl)acetic acid
CasNumber: 6298-53-9
MolecularFormula: C7H6N4O3
MolecularWeight: 194.14754
MdlNumber: MFCD20640752
Smiles: OC(=O)Cn1cnc2c1nc[nH]c2=O
NscNumber: 41848
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.8
CatalogNumber:
AH04223
ChemicalName:
2-(6-Oxo-1H-purin-9(6H)-yl)acetic acid
CasNumber:
6298-53-9
MolecularFormula:
C7H6N4O3
MolecularWeight:
194.14754
MdlNumber:
MFCD20640752
Smiles:
OC(=O)Cn1cnc2c1nc[nH]c2=O
NscNumber:
41848
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.8
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Smiles: C1(=C2C(=C(C(=C2Cl)Cl)Cl)Cl)C(=C(C(=C1Cl)Cl)Cl)Cl
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Smiles:
C1(=C2C(=C(C(=C2Cl)Cl)Cl)Cl)C(=C(C(=C1Cl)Cl)Cl)Cl
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Smiles: C(CCl)N1C(=O)N(C(=O)N(C1=O)CCCl)CCCl
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Smiles:
C(CCl)N1C(=O)N(C(=O)N(C1=O)CCCl)CCCl
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Smiles: Nn1c(C)nc2c1cccc2
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Smiles:
Nn1c(C)nc2c1cccc2
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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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