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158937-05-4 | Benzoic acid, 4-[2-(decyloxy)ethoxy]-, ethyl ester
CAS No: 158937-05-4 Catalog No: AG001R17 MDL No:
Product Description
Catalog Number:
AG001R17
Chemical Name:
Benzoic acid, 4-[2-(decyloxy)ethoxy]-, ethyl ester
CAS Number:
158937-05-4
Molecular Formula:
C21H34O4
Molecular Weight:
350.4923
IUPAC Name:
ethyl 4-(2-decoxyethoxy)benzoate
InChI:
InChI=1S/C21H34O4/c1-3-5-6-7-8-9-10-11-16-23-17-18-25-20-14-12-19(13-15-20)21(22)24-4-2/h12-15H,3-11,16-18H2,1-2H3
InChI Key:
QQBMZOKFBHPLRV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOCCOc1ccc(cc1)C(=O)OCC
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.246g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.499g/mol
Monoisotopic Mass:
350.246g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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