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10075-09-9 | 10-Octadecenoic acid, 9-hydroxy-, methyl ester, (10E)-
CAS No: 10075-09-9 Catalog No: AG0002SM MDL No:
Product Description
Catalog Number:
AG0002SM
Chemical Name:
10-Octadecenoic acid, 9-hydroxy-, methyl ester, (10E)-
CAS Number:
10075-09-9
Molecular Formula:
C19H36O3
Molecular Weight:
312.4873
IUPAC Name:
methyl 9-hydroxyoctadec-10-enoate
InChI:
InChI=1S/C19H36O3/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h12,15,18,20H,3-11,13-14,16-17H2,1-2H3
InChI Key:
BXSXGBHYOADYAM-UHFFFAOYSA-N
SMILES:
CCCCCCC/C=C/C(CCCCCCCC(=O)OC)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.266g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.494g/mol
Monoisotopic Mass:
312.266g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
6.1
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