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13126-44-8 | 15-Octadecenoic acid, (15E)-
CAS No: 13126-44-8 Catalog No: AG000VST MDL No:
Product Description
Catalog Number:
AG000VST
Chemical Name:
15-Octadecenoic acid, (15E)-
CAS Number:
13126-44-8
Molecular Formula:
C18H34O2
Molecular Weight:
282.4614
IUPAC Name:
octadec-15-enoic acid
InChI:
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4H,2,5-17H2,1H3,(H,19,20)
InChI Key:
KSIKGJKZYDOVFA-UHFFFAOYSA-N
SMILES:
CC/C=C/CCCCCCCCCCCCCC(=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.256g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.468g/mol
Monoisotopic Mass:
282.256g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.2
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