AI58235
871239-18-8 | 2-Amino-5-cyano-3-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI58235
ChemicalName
2-Amino-5-cyano-3-methylbenzoic acid
CasNumber
871239-18-8
MolecularFormula
C9H8N2O2
MolecularWeight
176.17201999999997
MdlNumber
MFCD17170401
Smiles
N#Cc1cc(C)c(c(c1)C(=O)O)N
Complexity
256
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AI58235
ChemicalName: 2-Amino-5-cyano-3-methylbenzoic acid
CasNumber: 871239-18-8
MolecularFormula: C9H8N2O2
MolecularWeight: 176.17201999999997
MdlNumber: MFCD17170401
Smiles: N#Cc1cc(C)c(c(c1)C(=O)O)N
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AI58235
ChemicalName:
2-Amino-5-cyano-3-methylbenzoic acid
CasNumber:
871239-18-8
MolecularFormula:
C9H8N2O2
MolecularWeight:
176.17201999999997
MdlNumber:
MFCD17170401
Smiles:
N#Cc1cc(C)c(c(c1)C(=O)O)N
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#C[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#C[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1cc(ccc1OCC)NC(=O)OC(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCOc1cc(ccc1OCC)NC(=O)OC(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: Cc1n[nH]c2c1c(Cl)ncn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Cc1n[nH]c2c1c(Cl)ncn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__