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136588-36-8 | Acetic acid, 2-[4-(2-ethylbutyl)phenoxy]-, butyl ester
CAS No: 136588-36-8 Catalog No: AG00123S MDL No:
Product Description
Catalog Number:
AG00123S
Chemical Name:
Acetic acid, 2-[4-(2-ethylbutyl)phenoxy]-, butyl ester
CAS Number:
136588-36-8
Molecular Formula:
C18H28O3
Molecular Weight:
292.4131
IUPAC Name:
butyl 2-[4-(2-ethylbutyl)phenoxy]acetate
InChI:
InChI=1S/C18H28O3/c1-4-7-12-20-18(19)14-21-17-10-8-16(9-11-17)13-15(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3
InChI Key:
JJNZMWQOZAGEQG-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)COc1ccc(cc1)CC(CC)CC
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.204g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.419g/mol
Monoisotopic Mass:
292.204g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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