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7155-21-7 | Propanedioic acid,2-butyl-2-phenyl-, 1,3-diethyl ester
CAS No: 7155-21-7 Catalog No: AG005GRN MDL No:
Product Description
Catalog Number:
AG005GRN
Chemical Name:
Propanedioic acid,2-butyl-2-phenyl-, 1,3-diethyl ester
CAS Number:
7155-21-7
Molecular Formula:
C17H24O4
Molecular Weight:
292.3701
IUPAC Name:
diethyl 2-butyl-2-phenylpropanedioate
InChI:
InChI=1S/C17H24O4/c1-4-7-13-17(15(18)20-5-2,16(19)21-6-3)14-11-9-8-10-12-14/h8-12H,4-7,13H2,1-3H3
InChI Key:
NRHHEAFRICJREB-UHFFFAOYSA-N
SMILES:
CCCCC(c1ccccc1)(C(=O)OCC)C(=O)OCC
NSC Number:
53658
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.167g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.375g/mol
Monoisotopic Mass:
292.167g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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