AF58852
42821-92-1 | 1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AF58852
ChemicalName
1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid methyl ester
CasNumber
42821-92-1
MolecularFormula
C6H6N2O4
MolecularWeight
170.1228
MdlNumber
MFCD06203889
Smiles
COC(=O)c1c[nH]c(=O)[nH]c1=O
NscNumber
602880
Complexity
281
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.9
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CatalogNumber: AF58852
ChemicalName: 1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid methyl ester
CasNumber: 42821-92-1
MolecularFormula: C6H6N2O4
MolecularWeight: 170.1228
MdlNumber: MFCD06203889
Smiles: COC(=O)c1c[nH]c(=O)[nH]c1=O
NscNumber: 602880
Complexity: 281
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.9
CatalogNumber:
AF58852
ChemicalName:
1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid methyl ester
CasNumber:
42821-92-1
MolecularFormula:
C6H6N2O4
MolecularWeight:
170.1228
MdlNumber:
MFCD06203889
Smiles:
COC(=O)c1c[nH]c(=O)[nH]c1=O
NscNumber:
602880
Complexity:
281
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.9
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Smiles: CS(=O)(=O)OCC1CN(C(=O)O1)C2=CC(=CC=C2)F
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CS(=O)(=O)OCC1CN(C(=O)O1)C2=CC(=CC=C2)F
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Smiles: NC(=O)c1cc(ccc1[N+](=O)[O-])N1CCOCC1
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NC(=O)c1cc(ccc1[N+](=O)[O-])N1CCOCC1
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Smiles: Oc1ccccc1C=NCCCCCCN=Cc1ccccc1O
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Smiles:
Oc1ccccc1C=NCCCCCCN=Cc1ccccc1O
NscNumber:
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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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