AG69245
6311-73-5 | Methyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG69245
ChemicalName
Methyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CasNumber
6311-73-5
MolecularFormula
C6H5N3O6
MolecularWeight
215.1204
MdlNumber
MFCD01346736
Smiles
COC(=O)c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]
Complexity
392
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.9
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CatalogNumber: AG69245
ChemicalName: Methyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CasNumber: 6311-73-5
MolecularFormula: C6H5N3O6
MolecularWeight: 215.1204
MdlNumber: MFCD01346736
Smiles: COC(=O)c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]
Complexity: 392
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.9
CatalogNumber:
AG69245
ChemicalName:
Methyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CasNumber:
6311-73-5
MolecularFormula:
C6H5N3O6
MolecularWeight:
215.1204
MdlNumber:
MFCD01346736
Smiles:
COC(=O)c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]
Complexity:
392
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.9
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Smiles: Cc1sc2c(c1C)c(=O)n(c(n2)S)C
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Cc1sc2c(c1C)c(=O)n(c(n2)S)C
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Smiles: CC1=CC(=C(C=C1)N)C.CC(=O)O
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CC1=CC(=C(C=C1)N)C.CC(=O)O
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Smiles: OC(=O)c1cccc(c1)S(=O)(=O)NCc1ccco1
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)c1cccc(c1)S(=O)(=O)NCc1ccco1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__