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82971-49-1 | Benzoic acid, 4-(10-undecenyloxy)-, 4-methoxyphenyl ester
CAS No: 82971-49-1 Catalog No: AG005EH5 MDL No:
Product Description
Catalog Number:
AG005EH5
Chemical Name:
Benzoic acid, 4-(10-undecenyloxy)-, 4-methoxyphenyl ester
CAS Number:
82971-49-1
Molecular Formula:
C25H32O4
Molecular Weight:
396.5192
IUPAC Name:
(4-methoxyphenyl) 4-undec-10-enoxybenzoate
InChI:
InChI=1S/C25H32O4/c1-3-4-5-6-7-8-9-10-11-20-28-23-14-12-21(13-15-23)25(26)29-24-18-16-22(27-2)17-19-24/h3,12-19H,1,4-11,20H2,2H3
InChI Key:
SQCYHQWGJUZDFJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OC(=O)c1ccc(cc1)OCCCCCCCCCC=C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.23g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.527g/mol
Monoisotopic Mass:
396.23g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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