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137654-26-3 | Pentanedioic acid, 3-phenyl-, 1-ethyl ester, (3S)-
CAS No: 137654-26-3 Catalog No: AG0013OF MDL No:
Product Description
Catalog Number:
AG0013OF
Chemical Name:
Pentanedioic acid, 3-phenyl-, 1-ethyl ester, (3S)-
CAS Number:
137654-26-3
Molecular Formula:
C13H15O4-
Molecular Weight:
235.2558
IUPAC Name:
5-ethoxy-5-oxo-3-phenylpentanoate
InChI:
InChI=1S/C13H16O4/c1-2-17-13(16)9-11(8-12(14)15)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,15)/p-1
InChI Key:
YRTMKJSCLUJGPA-UHFFFAOYSA-M
SMILES:
CCOC(=O)C[C@@H](c1ccccc1)CC(=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:
2.3
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