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Cephalexin Impurity D

CAT: 1596-AR-C05390-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAS Number
3342-78-7
Synonyms
2-Aminophenylacetic acid
Molecular Formula
C8H9NO2
Molecular Weight
151.16
API Name
Cephalexin

Chemical Information

2-Aminophenylacetic acid

2-aminophenylacetic acid is a member of the class of phenylacetic acids that is phenylacetic acid which carries an amino group at position 2 of the phenyl ring. A fungal metabolite produced by Colletotrichum gloeosporioides. It has a role as a fungal metabolite. It is a member of phenylacetic acids and a substituted aniline.

CAS Number3342-78-7
PubChem CID583776
IUPAC Name2-(2-aminophenyl)acetic acid
Molecular FormulaC8H9NO2
Molecular Weight151.16
XLogP0.7
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity147
SMILES
C1=CC=C(C(=C1)CC(=O)O)N
InChI
InChI=1S/C8H9NO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKey
KHMNCHDUSFCTGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Aminophenylacetic acid
CAS: 3342-78-7
CID: 583776
Formula: C8H9NO2
MW: 151.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.16
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass151.063328530
Monoisotopic Mass151.063328530
Topological Polar Surface Area63.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity147
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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