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114488-85-6 | 9-Undecenoic acid, 11-[3-(2-penten-1-yl)-2-oxiranyl]-, methyl ester
CAS No: 114488-85-6 Catalog No: AG000EJL MDL No:
Product Description
Catalog Number:
AG000EJL
Chemical Name:
9-Undecenoic acid, 11-[3-(2-penten-1-yl)-2-oxiranyl]-, methyl ester
CAS Number:
114488-85-6
Molecular Formula:
C19H32O3
Molecular Weight:
308.4556
IUPAC Name:
methyl 11-(3-pent-2-enyloxiran-2-yl)undec-9-enoate
InChI:
InChI=1S/C19H32O3/c1-3-4-11-14-17-18(22-17)15-12-9-7-5-6-8-10-13-16-19(20)21-2/h4,9,11-12,17-18H,3,5-8,10,13-16H2,1-2H3
InChI Key:
UKZBTRSYQIJJLK-UHFFFAOYSA-N
SMILES:
CCC=CCC1OC1CC=CCCCCCCCC(=O)OC
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.235g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.462g/mol
Monoisotopic Mass:
308.235g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
2
XLogP3:
5.3
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