AF31749
222970-61-8 | Methyl 6-hydroxy-5-nitronicotinate
Manufacturer: A2B Chem
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CatalogNumber
AF31749
ChemicalName
Methyl 6-hydroxy-5-nitronicotinate
CasNumber
222970-61-8
MolecularFormula
C7H6N2O5
MolecularWeight
198.1329
MdlNumber
MFCD10699641
Smiles
[O-][N+](=O)c1cc(cnc1O)C(=O)OC
Complexity
363
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.2
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CatalogNumber: AF31749
ChemicalName: Methyl 6-hydroxy-5-nitronicotinate
CasNumber: 222970-61-8
MolecularFormula: C7H6N2O5
MolecularWeight: 198.1329
MdlNumber: MFCD10699641
Smiles: [O-][N+](=O)c1cc(cnc1O)C(=O)OC
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.2
CatalogNumber:
AF31749
ChemicalName:
Methyl 6-hydroxy-5-nitronicotinate
CasNumber:
222970-61-8
MolecularFormula:
C7H6N2O5
MolecularWeight:
198.1329
MdlNumber:
MFCD10699641
Smiles:
[O-][N+](=O)c1cc(cnc1O)C(=O)OC
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(NC(c1cccc(c1)C)CC(=O)O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C(NC(c1cccc(c1)C)CC(=O)O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc2c(c1)nc(o2)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc2c(c1)nc(o2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1nn(C)c(=O)c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1nn(C)c(=O)c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__