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14618-12-3

14618-12-3 | Propanedioic acid, 2-(1-phenylethyl)-, 1,3-diethyl ester

CAS No: 14618-12-3 Catalog No: AG001DSE MDL No:

Product Description

Catalog Number:
AG001DSE
Chemical Name:
Propanedioic acid, 2-(1-phenylethyl)-, 1,3-diethyl ester
CAS Number:
14618-12-3
Molecular Formula:
C15H20O4
Molecular Weight:
264.3169
IUPAC Name:
diethyl 2-(1-phenylethyl)propanedioate
InChI:
InChI=1S/C15H20O4/c1-4-18-14(16)13(15(17)19-5-2)11(3)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3
InChI Key:
LLZGIWQYEYFCIC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(c1ccccc1)C)C(=O)OCC

Properties

Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.136g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.321g/mol
Monoisotopic Mass:
264.136g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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