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88303-83-7 | 10-Octadecenoic acid, 12,13-dihydroxy-9-methoxy-, methyl ester
CAS No: 88303-83-7 Catalog No: AG0048Q4 MDL No:
Product Description
Catalog Number:
AG0048Q4
Chemical Name:
10-Octadecenoic acid, 12,13-dihydroxy-9-methoxy-, methyl ester
CAS Number:
88303-83-7
Molecular Formula:
C20H38O5
Molecular Weight:
358.5127
IUPAC Name:
methyl 12,13-dihydroxy-9-methoxyoctadec-10-enoate
InChI:
InChI=1S/C20H38O5/c1-4-5-9-13-18(21)19(22)16-15-17(24-2)12-10-7-6-8-11-14-20(23)25-3/h15-19,21-22H,4-14H2,1-3H3
InChI Key:
CFSBDNDKFHWHFV-UHFFFAOYSA-N
SMILES:
CCCCCC(C(C=CC(CCCCCCCC(=O)OC)OC)O)O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.272g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.519g/mol
Monoisotopic Mass:
358.272g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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