Home Aminos [(2-Methylphenyl)amino](oxo)acetic acid

[(2-Methylphenyl)amino](oxo)acetic acid

CAS No.:
406190-09-8
Catalog Number:
AG00C8JI
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
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Product Description
Catalog Number:
AG00C8JI
Chemical Name:
[(2-Methylphenyl)amino](oxo)acetic acid
CAS Number:
406190-09-8
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD01001244
IUPAC Name:
2-(2-methylanilino)-2-oxoacetic acid
InChI:
InChI=1S/C9H9NO3/c1-6-4-2-3-5-7(6)10-8(11)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChI Key:
PORKFZUSLXVORE-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)Nc1ccccc1C
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties