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88505-47-9 | 9-Hexadecenoic acid, 14-methyl-, (Z)-
CAS No: 88505-47-9 Catalog No: AG00489U MDL No:
Product Description
Catalog Number:
AG00489U
Chemical Name:
9-Hexadecenoic acid, 14-methyl-, (Z)-
CAS Number:
88505-47-9
Molecular Formula:
C17H32O2
Molecular Weight:
268.4348
IUPAC Name:
14-methylhexadec-9-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/h6,8,16H,3-5,7,9-15H2,1-2H3,(H,18,19)
InChI Key:
JSOOUDKFWVPPEF-UHFFFAOYSA-N
SMILES:
CCC(CCC/C=C\CCCCCCCC(=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:
6.4
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