AA70377
14383-42-7 | 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA70377
ChemicalName
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CasNumber
14383-42-7
MolecularFormula
C6H6N2O4
MolecularWeight
170.1228
MdlNumber
MFCD11099499
Smiles
OC(=O)c1cn(C)c(=O)[nH]c1=O
Complexity
294
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-0.5
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CatalogNumber: AA70377
ChemicalName: 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CasNumber: 14383-42-7
MolecularFormula: C6H6N2O4
MolecularWeight: 170.1228
MdlNumber: MFCD11099499
Smiles: OC(=O)c1cn(C)c(=O)[nH]c1=O
Complexity: 294
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.5
CatalogNumber:
AA70377
ChemicalName:
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CasNumber:
14383-42-7
MolecularFormula:
C6H6N2O4
MolecularWeight:
170.1228
MdlNumber:
MFCD11099499
Smiles:
OC(=O)c1cn(C)c(=O)[nH]c1=O
Complexity:
294
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.5
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Smiles: Brc1cccc2c1oc1c2cccc1C(C)(C)C
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Smiles:
Brc1cccc2c1oc1c2cccc1C(C)(C)C
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Smiles: C1CCN(CC1)CCOc1cccc(c1)c1n[nH]c2c1cc(cc2)c1[nH]ncn1.Cl
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Smiles:
C1CCN(CC1)CCOc1cccc(c1)c1n[nH]c2c1cc(cc2)c1[nH]ncn1.Cl
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Smiles: CC(=O)c1ccc2-c3cc4CCCC(=O)c4cc3OCc2c1
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(=O)c1ccc2-c3cc4CCCC(=O)c4cc3OCc2c1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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