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113741-16-5 | Propanedioic acid, 2-methyl-2-(phenylmethyl)-, 1-ethyl ester
CAS No: 113741-16-5 Catalog No: AG0009IA MDL No:
Product Description
Catalog Number:
AG0009IA
Chemical Name:
Propanedioic acid, 2-methyl-2-(phenylmethyl)-, 1-ethyl ester
CAS Number:
113741-16-5
Molecular Formula:
C13H15O4-
Molecular Weight:
235.2558
IUPAC Name:
2-benzyl-3-ethoxy-2-methyl-3-oxopropanoate
InChI:
InChI=1S/C13H16O4/c1-3-17-12(16)13(2,11(14)15)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,14,15)/p-1
InChI Key:
UBULAUQMQHOJPR-UHFFFAOYSA-M
SMILES:
CCOC(=O)C(C(=O)[O-])(Cc1ccccc1)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.097g/mol
Formal Charge:
-1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.259g/mol
Monoisotopic Mass:
235.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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