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114810-82-1 | Benzoic acid, 2-hydroxy-5-methyl-3-(1-methylpentadecyl)-
CAS No: 114810-82-1 Catalog No: AG000F9G MDL No:
Product Description
Catalog Number:
AG000F9G
Chemical Name:
Benzoic acid, 2-hydroxy-5-methyl-3-(1-methylpentadecyl)-
CAS Number:
114810-82-1
Molecular Formula:
C24H40O3
Molecular Weight:
376.5726
IUPAC Name:
3-hexadecan-2-yl-2-hydroxy-5-methylbenzoic acid
InChI:
InChI=1S/C24H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(3)21-17-19(2)18-22(23(21)25)24(26)27/h17-18,20,25H,4-16H2,1-3H3,(H,26,27)
InChI Key:
KFRJZGNVTJITQV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(c1cc(C)cc(c1O)C(=O)O)C
Properties
Complexity:
382
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:
2
Isotope Atom Count:
0
Molecular Weight:
376.581g/mol
Monoisotopic Mass:
376.298g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2
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