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167493-61-0 | 2-Oxetanone, 3-butyl-4-pentylidene-, (4Z)-
CAS No: 167493-61-0 Catalog No: AG001XEL MDL No:
Product Description
Catalog Number:
AG001XEL
Chemical Name:
2-Oxetanone, 3-butyl-4-pentylidene-, (4Z)-
CAS Number:
167493-61-0
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
3-butyl-4-pentylideneoxetan-2-one
InChI:
InChI=1S/C12H20O2/c1-3-5-7-9-11-10(8-6-4-2)12(13)14-11/h9-10H,3-8H2,1-2H3
InChI Key:
MJZLRAHODCHJCG-UHFFFAOYSA-N
SMILES:
CCCC/C=C/1\OC(=O)C1CCCC
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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