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1331-93-7 | Octadecanoic acid, hydroxy-, methyl ester
CAS No: 1331-93-7 Catalog No: AG0014A5 MDL No:
Product Description
Catalog Number:
AG0014A5
Chemical Name:
Octadecanoic acid, hydroxy-, methyl ester
CAS Number:
1331-93-7
Molecular Formula:
C19H38O3
Molecular Weight:
314.5032
IUPAC Name:
methyl 2-hydroxyoctadecanoate
InChI:
InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h18,20H,3-17H2,1-2H3
InChI Key:
OUFCLLRNNJZLOX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(C(=O)OC)O
Properties
Complexity:
241
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:
1
Isotope Atom Count:
0
Molecular Weight:
314.51g/mol
Monoisotopic Mass:
314.282g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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