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101474-10-6 | 9-Octadecenoic acid, 2,2-diethyl-, (9Z)-
CAS No: 101474-10-6 Catalog No: AG0004K0 MDL No:
Product Description
Catalog Number:
AG0004K0
Chemical Name:
9-Octadecenoic acid, 2,2-diethyl-, (9Z)-
CAS Number:
101474-10-6
Molecular Formula:
C22H42O2
Molecular Weight:
338.5677
IUPAC Name:
2,2-diethyloctadec-9-enoic acid
InChI:
InChI=1S/C22H42O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(5-2,6-3)21(23)24/h13-14H,4-12,15-20H2,1-3H3,(H,23,24)
InChI Key:
HXWUBDHHZAEYFY-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCC(C(=O)O)(CC)CC
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.318g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.576g/mol
Monoisotopic Mass:
338.318g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.9
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