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158937-03-2 | Benzoic acid, 4-[2-(heptyloxy)ethoxy]-, ethyl ester
CAS No: 158937-03-2 Catalog No: AG001R05 MDL No:
Product Description
Catalog Number:
AG001R05
Chemical Name:
Benzoic acid, 4-[2-(heptyloxy)ethoxy]-, ethyl ester
CAS Number:
158937-03-2
Molecular Formula:
C18H28O4
Molecular Weight:
308.4125
IUPAC Name:
ethyl 4-(2-heptoxyethoxy)benzoate
InChI:
InChI=1S/C18H28O4/c1-3-5-6-7-8-13-20-14-15-22-17-11-9-16(10-12-17)18(19)21-4-2/h9-12H,3-8,13-15H2,1-2H3
InChI Key:
JMWISIFQQHBYLT-UHFFFAOYSA-N
SMILES:
CCCCCCCOCCOc1ccc(cc1)C(=O)OCC
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.199g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.418g/mol
Monoisotopic Mass:
308.199g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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