AF29613
24202-74-2 | 4-(Methoxycarbonyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AF29613
ChemicalName
4-(Methoxycarbonyl)nicotinic acid
CasNumber
24202-74-2
MolecularFormula
C8H7NO4
MolecularWeight
181.14547999999994
MdlNumber
MFCD00111513
Smiles
COC(=O)c1ccncc1C(=O)O
NscNumber
302958
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.2
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CatalogNumber: AF29613
ChemicalName: 4-(Methoxycarbonyl)nicotinic acid
CasNumber: 24202-74-2
MolecularFormula: C8H7NO4
MolecularWeight: 181.14547999999994
MdlNumber: MFCD00111513
Smiles: COC(=O)c1ccncc1C(=O)O
NscNumber: 302958
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.2
CatalogNumber:
AF29613
ChemicalName:
4-(Methoxycarbonyl)nicotinic acid
CasNumber:
24202-74-2
MolecularFormula:
C8H7NO4
MolecularWeight:
181.14547999999994
MdlNumber:
MFCD00111513
Smiles:
COC(=O)c1ccncc1C(=O)O
NscNumber:
302958
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.2
CatalogNumber: __
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Smiles: CCCCCC=CC(=O)OC
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCCC=CC(=O)OC
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RotatableBondCount:
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Smiles: CC1(CCCC(=CC=O)C1)C
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Smiles:
CC1(CCCC(=CC=O)C1)C
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)C(P(=O)(OCC)OCC)CC#C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(P(=O)(OCC)OCC)CC#C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__