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794564-01-5 | Hexanoic acid, 2-[4-(phenylmethoxy)phenyl]ethyl ester
CAS No: 794564-01-5 Catalog No: AG0051TO MDL No:
Product Description
Catalog Number:
AG0051TO
Chemical Name:
Hexanoic acid, 2-[4-(phenylmethoxy)phenyl]ethyl ester
CAS Number:
794564-01-5
Molecular Formula:
C21H26O3
Molecular Weight:
326.4293
IUPAC Name:
2-(4-phenylmethoxyphenyl)ethyl hexanoate
InChI:
InChI=1S/C21H26O3/c1-2-3-5-10-21(22)23-16-15-18-11-13-20(14-12-18)24-17-19-8-6-4-7-9-19/h4,6-9,11-14H,2-3,5,10,15-17H2,1H3
InChI Key:
WQIUCGQRWFMMIA-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)OCCc1ccc(cc1)OCc1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.188g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.436g/mol
Monoisotopic Mass:
326.188g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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