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101375-82-0 | Octadecanoic acid, 6-hydroxy-6-methyl-
CAS No: 101375-82-0 Catalog No: AG0004BZ MDL No:
Product Description
Catalog Number:
AG0004BZ
Chemical Name:
Octadecanoic acid, 6-hydroxy-6-methyl-
CAS Number:
101375-82-0
Molecular Formula:
C19H38O3
Molecular Weight:
314.5032
IUPAC Name:
6-hydroxy-6-methyloctadecanoic acid
InChI:
InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-13-16-19(2,22)17-14-12-15-18(20)21/h22H,3-17H2,1-2H3,(H,20,21)
InChI Key:
KKSCIHIDCOHLKZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(CCCCC(=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:
6.5
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