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87963-84-6 | Benzoic acid, 3,5-bis(octyloxy)-, methyl ester
CAS No: 87963-84-6 Catalog No: AG004G9E MDL No:
Product Description
Catalog Number:
AG004G9E
Chemical Name:
Benzoic acid, 3,5-bis(octyloxy)-, methyl ester
CAS Number:
87963-84-6
Molecular Formula:
C24H40O4
Molecular Weight:
392.5720
IUPAC Name:
methyl 3,5-dioctoxybenzoate
InChI:
InChI=1S/C24H40O4/c1-4-6-8-10-12-14-16-27-22-18-21(24(25)26-3)19-23(20-22)28-17-15-13-11-9-7-5-2/h18-20H,4-17H2,1-3H3
InChI Key:
CURLYRZFUQOENY-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cc(OCCCCCCCC)cc(c1)C(=O)OC
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.293g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.58g/mol
Monoisotopic Mass:
392.293g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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