AA47058
13227-01-5 | 2-Amino-2-(4-methylphenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AA47058
ChemicalName
2-Amino-2-(4-methylphenyl)acetic acid
CasNumber
13227-01-5
MolecularFormula
C9H11NO2
MolecularWeight
165.1891
MdlNumber
MFCD00665357
Smiles
NC(c1ccc(cc1)C)C(=O)O
Complexity
162
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-1.3
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CatalogNumber: AA47058
ChemicalName: 2-Amino-2-(4-methylphenyl)acetic acid
CasNumber: 13227-01-5
MolecularFormula: C9H11NO2
MolecularWeight: 165.1891
MdlNumber: MFCD00665357
Smiles: NC(c1ccc(cc1)C)C(=O)O
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -1.3
CatalogNumber:
AA47058
ChemicalName:
2-Amino-2-(4-methylphenyl)acetic acid
CasNumber:
13227-01-5
MolecularFormula:
C9H11NO2
MolecularWeight:
165.1891
MdlNumber:
MFCD00665357
Smiles:
NC(c1ccc(cc1)C)C(=O)O
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-1.3
CatalogNumber: __
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Smiles: COC(=O)C(c1ccc(cc1)OC)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
COC(=O)C(c1ccc(cc1)OC)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: [O-][N+](=O)c1c([nH]nc1C(F)(F)F)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[O-][N+](=O)c1c([nH]nc1C(F)(F)F)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)c1ccc2c(c1)ccc(c2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)c1ccc2c(c1)ccc(c2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__