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100363-80-2 | 12-Octadecenoic acid, 9-(acetyloxy)-, (Z)- (9CI)
CAS No: 100363-80-2 Catalog No: AG0001PW MDL No:
Product Description
Catalog Number:
AG0001PW
Chemical Name:
12-Octadecenoic acid, 9-(acetyloxy)-, (Z)- (9CI)
CAS Number:
100363-80-2
Molecular Formula:
C20H36O4
Molecular Weight:
340.4974
IUPAC Name:
9-acetyloxyoctadec-12-enoic acid
InChI:
InChI=1S/C20H36O4/c1-3-4-5-6-7-9-12-15-19(24-18(2)21)16-13-10-8-11-14-17-20(22)23/h7,9,19H,3-6,8,10-17H2,1-2H3,(H,22,23)
InChI Key:
QWWQFPWLFIPRHF-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\CCC(OC(=O)C)CCCCCCCC(=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:
6.1
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