AC87118
97000-30-1 | 5-(3-Methoxyphenyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AC87118
ChemicalName
5-(3-Methoxyphenyl)nicotinic acid
CasNumber
97000-30-1
MolecularFormula
C13H11NO3
MolecularWeight
229.2313
MdlNumber
MFCD06410273
Smiles
COc1cccc(c1)c1cncc(c1)C(=O)O
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AC87118
ChemicalName: 5-(3-Methoxyphenyl)nicotinic acid
CasNumber: 97000-30-1
MolecularFormula: C13H11NO3
MolecularWeight: 229.2313
MdlNumber: MFCD06410273
Smiles: COc1cccc(c1)c1cncc(c1)C(=O)O
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AC87118
ChemicalName:
5-(3-Methoxyphenyl)nicotinic acid
CasNumber:
97000-30-1
MolecularFormula:
C13H11NO3
MolecularWeight:
229.2313
MdlNumber:
MFCD06410273
Smiles:
COc1cccc(c1)c1cncc(c1)C(=O)O
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: O[C@@H]1CC[C@H](CC1)NCc1cc(Br)cc(c1N)Br.OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O[C@@H]1CC[C@H](CC1)NCc1cc(Br)cc(c1N)Br.OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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Smiles: Oc1cc2cc(O)c(cc2cc1Br)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
__
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Smiles:
Oc1cc2cc(O)c(cc2cc1Br)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularWeight: __
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Smiles: OC[C@H]1O[C@H](CC1O)n1c(OCc2ccccc2)nc2c1nc(N)[nH]c2=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H](CC1O)n1c(OCc2ccccc2)nc2c1nc(N)[nH]c2=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__