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114126-87-3 | Propanoic acid, 3-(acetylphenylamino)-2-methyl-
CAS No: 114126-87-3 Catalog No: AG000AN2 MDL No:
Product Description
Catalog Number:
AG000AN2
Chemical Name:
Propanoic acid, 3-(acetylphenylamino)-2-methyl-
CAS Number:
114126-87-3
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
3-(N-acetylanilino)-2-methylpropanoic acid
InChI:
InChI=1S/C12H15NO3/c1-9(12(15)16)8-13(10(2)14)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,15,16)
InChI Key:
REQGWUHVKANNAE-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)CN(c1ccccc1)C(=O)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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