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114046-22-9 | 9-Hexadecenoic acid, 3-methylbutyl ester, (9Z)-
CAS No: 114046-22-9 Catalog No: AG000AF1 MDL No:
Product Description
Catalog Number:
AG000AF1
Chemical Name:
9-Hexadecenoic acid, 3-methylbutyl ester, (9Z)-
CAS Number:
114046-22-9
Molecular Formula:
C21H40O2
Molecular Weight:
324.5411
IUPAC Name:
3-methylbutyl hexadec-9-enoate
InChI:
InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)23-19-18-20(2)3/h9-10,20H,4-8,11-19H2,1-3H3
InChI Key:
UHXRAFWWZJECFA-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C\CCCCCCCC(=O)OCCC(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.303g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.549g/mol
Monoisotopic Mass:
324.303g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.2
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