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115859-56-8

115859-56-8 | Propanoic acid, 3-(benzoylamino)-2-methyl-, methyl ester

CAS No: 115859-56-8 Catalog No: AG000GYK MDL No:

Product Description

Catalog Number:
AG000GYK
Chemical Name:
Propanoic acid, 3-(benzoylamino)-2-methyl-, methyl ester
CAS Number:
115859-56-8
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
methyl 3-benzamido-2-methylpropanoate
InChI:
InChI=1S/C12H15NO3/c1-9(12(15)16-2)8-13-11(14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)
InChI Key:
STNRNKXPULEOLQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(CNC(=O)c1ccccc1)C

Properties

Complexity:
247  
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:
5  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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