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78987-20-9 | Propanoic acid, 3-[(2-methylphenyl)amino]-3-oxo-
CAS No: 78987-20-9 Catalog No: AG0054I0 MDL No:MFCD09157986
Product Description
Catalog Number:
AG0054I0
Chemical Name:
Propanoic acid, 3-[(2-methylphenyl)amino]-3-oxo-
CAS Number:
78987-20-9
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD09157986
IUPAC Name:
3-(2-methylanilino)-3-oxopropanoic acid
InChI:
InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)11-9(12)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChI Key:
ZVSXBFLEXYCRRS-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1C)CC(=O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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