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17364-07-7 | 9-Octadecenoic acid, 1-methylethyl ester
CAS No: 17364-07-7 Catalog No: AG001Z3W MDL No:
Product Description
Catalog Number:
AG001Z3W
Chemical Name:
9-Octadecenoic acid, 1-methylethyl ester
CAS Number:
17364-07-7
Molecular Formula:
C21H40O2
Molecular Weight:
324.5411
IUPAC Name:
propan-2-yl octadec-9-enoate
InChI:
InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3
InChI Key:
PZQSQRCNMZGWFT-UHFFFAOYSA-N
SMILES:
CCCCCCCCC=CCCCCCCCC(=O)OC(C)C
EC Number:
203-935-4
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:
8.4
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