AI55980
75438-77-6 | 2-Cyclopropyl-5-nitropyrimidine-4,6-diol
Manufacturer: A2B Chem
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CatalogNumber
AI55980
ChemicalName
2-Cyclopropyl-5-nitropyrimidine-4,6-diol
CasNumber
75438-77-6
MolecularFormula
C7H7N3O4
MolecularWeight
197.1482
MdlNumber
MFCD28991863
Smiles
[O-][N+](=O)c1c(O)nc(nc1O)C1CC1
Complexity
375
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.2
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CatalogNumber: AI55980
ChemicalName: 2-Cyclopropyl-5-nitropyrimidine-4,6-diol
CasNumber: 75438-77-6
MolecularFormula: C7H7N3O4
MolecularWeight: 197.1482
MdlNumber: MFCD28991863
Smiles: [O-][N+](=O)c1c(O)nc(nc1O)C1CC1
Complexity: 375
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AI55980
ChemicalName:
2-Cyclopropyl-5-nitropyrimidine-4,6-diol
CasNumber:
75438-77-6
MolecularFormula:
C7H7N3O4
MolecularWeight:
197.1482
MdlNumber:
MFCD28991863
Smiles:
[O-][N+](=O)c1c(O)nc(nc1O)C1CC1
Complexity:
375
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.2
CatalogNumber: __
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Smiles: O=c1s[nH]c(n1)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
O=c1s[nH]c(n1)c1ccccc1
Complexity:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: O=C(ON1C(=O)CCC1=O)CCCCCCCCCCC(=O)ON1C(=O)CCC1=O
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
O=C(ON1C(=O)CCC1=O)CCCCCCCCCCC(=O)ON1C(=O)CCC1=O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC(=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCC=C(CCC=C(C)C)C.[Br-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCC=C(CCC=C(C)C)C.[Br-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__