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115730-92-2

115730-92-2 | Hexadecenoic acid, 14-methyl-, (Z)-

CAS No: 115730-92-2 Catalog No: AG000GSA MDL No:

Product Description

Catalog Number:
AG000GSA
Chemical Name:
Hexadecenoic acid, 14-methyl-, (Z)-
CAS Number:
115730-92-2
Molecular Formula:
C17H32O2
Molecular Weight:
268.4348
IUPAC Name:
14-methylhexadec-2-enoic acid
InChI:
InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h13,15-16H,3-12,14H2,1-2H3,(H,18,19)
InChI Key:
FBCCNDAFRKAKLO-UHFFFAOYSA-N
SMILES:
CCC(CCCCCCCCCC/C=C\C(=O)O)C

Properties

Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.24g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.441g/mol
Monoisotopic Mass:
268.24g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
7.3  

Literature

Title Journal
Structure and absolute configuration of an unsaturated anteiso fatty acid from Bacillus megaterium. Journal of chromatography. A 20100305

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