AF33939
24195-10-6 | 2-(Methoxycarbonyl)isonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AF33939
ChemicalName
2-(Methoxycarbonyl)isonicotinic acid
CasNumber
24195-10-6
MolecularFormula
C8H7NO4
MolecularWeight
181.1455
MdlNumber
MFCD00661398
Smiles
COC(=O)c1cc(ccn1)C(=O)O
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.6
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CatalogNumber: AF33939
ChemicalName: 2-(Methoxycarbonyl)isonicotinic acid
CasNumber: 24195-10-6
MolecularFormula: C8H7NO4
MolecularWeight: 181.1455
MdlNumber: MFCD00661398
Smiles: COC(=O)c1cc(ccn1)C(=O)O
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AF33939
ChemicalName:
2-(Methoxycarbonyl)isonicotinic acid
CasNumber:
24195-10-6
MolecularFormula:
C8H7NO4
MolecularWeight:
181.1455
MdlNumber:
MFCD00661398
Smiles:
COC(=O)c1cc(ccn1)C(=O)O
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.6
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Smiles: Cc1c(Cl)c(cnc1Cl)C(=O)OCC
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Smiles:
Cc1c(Cl)c(cnc1Cl)C(=O)OCC
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)c1cccc2c1NC(=O)C2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cccc2c1NC(=O)C2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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