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123-36-4 | 2-Oxiraneoctanoic acid, 3-octyl-, 2-propen-1-yl ester
CAS No: 123-36-4 Catalog No: AG000JXC MDL No:
Product Description
Catalog Number:
AG000JXC
Chemical Name:
2-Oxiraneoctanoic acid, 3-octyl-, 2-propen-1-yl ester
CAS Number:
123-36-4
Molecular Formula:
C21H38O3
Molecular Weight:
338.5246
IUPAC Name:
prop-2-enyl 8-(3-octyloxiran-2-yl)octanoate
InChI:
InChI=1S/C21H38O3/c1-3-5-6-7-9-12-15-19-20(24-19)16-13-10-8-11-14-17-21(22)23-18-4-2/h4,19-20H,2-3,5-18H2,1H3
InChI Key:
KHPNSFFGLLOSHH-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1OC1CCCCCCCC(=O)OCC=C
NSC Number:
83539
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.282g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.532g/mol
Monoisotopic Mass:
338.282g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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