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88099-77-8 | Octadecanoic acid, 12-hydroxy-12-methyl-
CAS No: 88099-77-8 Catalog No: AG004J23 MDL No:
Product Description
Catalog Number:
AG004J23
Chemical Name:
Octadecanoic acid, 12-hydroxy-12-methyl-
CAS Number:
88099-77-8
Molecular Formula:
C19H38O3
Molecular Weight:
314.5032
IUPAC Name:
12-hydroxy-12-methyloctadecanoic acid
InChI:
InChI=1S/C19H38O3/c1-3-4-5-13-16-19(2,22)17-14-11-9-7-6-8-10-12-15-18(20)21/h22H,3-17H2,1-2H3,(H,20,21)
InChI Key:
OJLQNDQMJGILIY-UHFFFAOYSA-N
SMILES:
CCCCCCC(CCCCCCCCCCC(=O)O)(O)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.282g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.51g/mol
Monoisotopic Mass:
314.282g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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