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138844-95-8 | 9-Octadecenoic acid, 12-(acetyloxy)-
CAS No: 138844-95-8 Catalog No: AG0019OM MDL No:
Product Description
Catalog Number:
AG0019OM
Chemical Name:
9-Octadecenoic acid, 12-(acetyloxy)-
CAS Number:
138844-95-8
Molecular Formula:
C20H36O4
Molecular Weight:
340.4974
IUPAC Name:
12-acetyloxyoctadec-9-enoic acid
InChI:
InChI=1S/C20H36O4/c1-3-4-5-12-15-19(24-18(2)21)16-13-10-8-6-7-9-11-14-17-20(22)23/h10,13,19H,3-9,11-12,14-17H2,1-2H3,(H,22,23)
InChI Key:
OZNJPDLVWMTLKB-UHFFFAOYSA-N
SMILES:
CCCCCCC(OC(=O)C)CC=CCCCCCCCC(=O)O
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.261g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.504g/mol
Monoisotopic Mass:
340.261g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
6.3
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