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121925-63-1 | Pentanedioic acid, 2-phenyl-, 1-ethyl ester
CAS No: 121925-63-1 Catalog No: AG0016F9 MDL No:
Product Description
Catalog Number:
AG0016F9
Chemical Name:
Pentanedioic acid, 2-phenyl-, 1-ethyl ester
CAS Number:
121925-63-1
Molecular Formula:
C13H15O4-
Molecular Weight:
235.2558
IUPAC Name:
5-ethoxy-5-oxo-4-phenylpentanoate
InChI:
InChI=1S/C13H16O4/c1-2-17-13(16)11(8-9-12(14)15)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,15)/p-1
InChI Key:
VADVJGMRGTVPFC-UHFFFAOYSA-M
SMILES:
CCOC(=O)C(c1ccccc1)CCC(=O)[O-]
Properties
Complexity:
251
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:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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