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88095-49-2 | Octadecanoic acid, 9-hydroxy-, phenyl ester
CAS No: 88095-49-2 Catalog No: AG004J59 MDL No:
Product Description
Catalog Number:
AG004J59
Chemical Name:
Octadecanoic acid, 9-hydroxy-, phenyl ester
CAS Number:
88095-49-2
Molecular Formula:
C24H40O3
Molecular Weight:
376.5726
IUPAC Name:
phenyl 9-hydroxyoctadecanoate
InChI:
InChI=1S/C24H40O3/c1-2-3-4-5-6-8-12-17-22(25)18-13-9-7-10-16-21-24(26)27-23-19-14-11-15-20-23/h11,14-15,19-20,22,25H,2-10,12-13,16-18,21H2,1H3
InChI Key:
BFKOHSRFOPUJES-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(CCCCCCCC(=O)Oc1ccccc1)O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.298g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.581g/mol
Monoisotopic Mass:
376.298g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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