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160017-67-4 | Hexadecenoic acid, 7-methyl- (9CI)
CAS No: 160017-67-4 Catalog No: AG001RLE MDL No:
Product Description
Catalog Number:
AG001RLE
Chemical Name:
Hexadecenoic acid, 7-methyl- (9CI)
CAS Number:
160017-67-4
Molecular Formula:
C17H32O2
Molecular Weight:
268.4348
IUPAC Name:
7-methylhexadec-2-enoic acid
InChI:
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-10-13-16(2)14-11-9-12-15-17(18)19/h12,15-16H,3-11,13-14H2,1-2H3,(H,18,19)
InChI Key:
CEYZVCCKOHZAPO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(CCCC=CC(=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
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