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100482-26-6 | Benzoic acid, 4-ethoxy-3,5-dipropyl-, ethyl ester
CAS No: 100482-26-6 Catalog No: AG00022T MDL No:
Product Description
Catalog Number:
AG00022T
Chemical Name:
Benzoic acid, 4-ethoxy-3,5-dipropyl-, ethyl ester
CAS Number:
100482-26-6
Molecular Formula:
C17H26O3
Molecular Weight:
278.3865
IUPAC Name:
ethyl 4-ethoxy-3,5-dipropylbenzoate
InChI:
InChI=1S/C17H26O3/c1-5-9-13-11-15(17(18)20-8-4)12-14(10-6-2)16(13)19-7-3/h11-12H,5-10H2,1-4H3
InChI Key:
BXARXLWSBTVJNV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(CCC)c(c(c1)CCC)OCC
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.188g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.392g/mol
Monoisotopic Mass:
278.188g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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