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89411-15-4 | Heptadecanoic acid, 9-hydroxy-, methyl ester
CAS No: 89411-15-4 Catalog No: AG004512 MDL No:
Product Description
Catalog Number:
AG004512
Chemical Name:
Heptadecanoic acid, 9-hydroxy-, methyl ester
CAS Number:
89411-15-4
Molecular Formula:
C18H36O3
Molecular Weight:
300.4766
IUPAC Name:
methyl 9-hydroxyheptadecanoate
InChI:
InChI=1S/C18H36O3/c1-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21-2/h17,19H,3-16H2,1-2H3
InChI Key:
YALMQAPNBXPRGV-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(CCCCCCCC(=O)OC)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.266g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.483g/mol
Monoisotopic Mass:
300.266g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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