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88159-16-4 | Octadecanoic acid, 3-methoxy-
CAS No: 88159-16-4 Catalog No: AG004CRN MDL No:
Product Description
Catalog Number:
AG004CRN
Chemical Name:
Octadecanoic acid, 3-methoxy-
CAS Number:
88159-16-4
Molecular Formula:
C19H38O3
Molecular Weight:
314.5032
IUPAC Name:
3-methoxyoctadecanoic acid
InChI:
InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(22-2)17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
InChI Key:
JUJCAQPDDRLQJE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(CC(=O)O)OC
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:
7.4
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