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114838-64-1 | Propanoic acid, 2,2-dimethyl-, phenylazanyl ester
CAS No: 114838-64-1 Catalog No: AG000FBE MDL No:
Product Description
Catalog Number:
AG000FBE
Chemical Name:
Propanoic acid, 2,2-dimethyl-, phenylazanyl ester
CAS Number:
114838-64-1
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
anilino 2,2-dimethylpropanoate
InChI:
InChI=1S/C11H15NO2/c1-11(2,3)10(13)14-12-9-7-5-4-6-8-9/h4-8,12H,1-3H3
InChI Key:
KSFSDAVYEZHAKJ-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)ONc1ccccc1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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