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14971-14-3 | Benzoic acid, 2-hydroxy-, octadecyl ester
CAS No: 14971-14-3 Catalog No: AG001LYS MDL No:
Product Description
Catalog Number:
AG001LYS
Chemical Name:
Benzoic acid, 2-hydroxy-, octadecyl ester
CAS Number:
14971-14-3
Molecular Formula:
C25H42O3
Molecular Weight:
390.5992
IUPAC Name:
octadecyl 2-hydroxybenzoate
InChI:
InChI=1S/C25H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-25(27)23-20-17-18-21-24(23)26/h17-18,20-21,26H,2-16,19,22H2,1H3
InChI Key:
OZAVCEALUDNEKN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1O
EC Number:
239-046-3
NSC Number:
97319
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.313g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.608g/mol
Monoisotopic Mass:
390.313g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.2
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