Synonyms
2903-48-2; NE19541; MCULE-8868647768; SC-83152; D4265; J7KKT84Z1Z; AK320889; 2,6-Dimethylanilino(oxo)acetic acid; Oxanilic acid, 2',6'-dimethyl-; UNII-J7KKT84Z1Z;
IUPAC Name
2-(2,6-dimethylanilino)-2-oxoacetic acid;
Molecular Weight
193.202g/mol
Molecular Formula
C10H11NO3;
Canonical SMILES
CC1=C(C(=CC=C1)C)NC(=O)C(=O)O;
InChI
InChI=1S/C10H11NO3/c1-6-4-3-5-7(2)8(6)11-9(12)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14);
InChI Key
JFTAPSBIODPQJN-UHFFFAOYSA-N;
Complexity
230
Covalently-Bonded Unit Count
1
Exact Mass
193.074g/mol
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
14
Monoisotopic Mass
193.074g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
66.4A^2
UNII
J7KKT84Z1Z
