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131327-16-7 | Propanoic acid, 2-[(2-amino-5-methylphenyl)imino]-, (E)- (9CI)
CAS No: 131327-16-7 Catalog No: AG000VXQ MDL No:
Product Description
Catalog Number:
AG000VXQ
Chemical Name:
Propanoic acid, 2-[(2-amino-5-methylphenyl)imino]-, (E)- (9CI)
CAS Number:
131327-16-7
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
IUPAC Name:
2-(2-amino-5-methylphenyl)iminopropanoic acid
InChI:
InChI=1S/C10H12N2O2/c1-6-3-4-8(11)9(5-6)12-7(2)10(13)14/h3-5H,11H2,1-2H3,(H,13,14)
InChI Key:
JOUQNFMXZFEDSX-UHFFFAOYSA-N
SMILES:
C/C(=N\c1cc(C)ccc1N)/C(=O)O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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