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28759-02-6 | Benzoic acid, 2-(heptadecadien-1-yl)-6-hydroxy-
CAS No: 28759-02-6 Catalog No: AG002WDO MDL No:
Product Description
Catalog Number:
AG002WDO
Chemical Name:
Benzoic acid, 2-(heptadecadien-1-yl)-6-hydroxy-
CAS Number:
28759-02-6
Molecular Formula:
C24H36O3
Molecular Weight:
372.5408
IUPAC Name:
2-heptadeca-1,3-dienyl-6-hydroxybenzoic acid
InChI:
InChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h14-20,25H,2-13H2,1H3,(H,26,27)
InChI Key:
KNWCJYVBKNAAQQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC=CC=Cc1cccc(c1C(=O)O)O
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.266g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.549g/mol
Monoisotopic Mass:
372.266g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
9.7
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