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824392-01-0 | 4-Penten-2-one, 1-(2-pentylcyclopropyl)-
CAS No: 824392-01-0 Catalog No: AG004WNN MDL No:
Product Description
Catalog Number:
AG004WNN
Chemical Name:
4-Penten-2-one, 1-(2-pentylcyclopropyl)-
CAS Number:
824392-01-0
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
1-(2-pentylcyclopropyl)pent-4-en-2-one
InChI:
InChI=1S/C13H22O/c1-3-5-6-8-11-9-12(11)10-13(14)7-4-2/h4,11-12H,2-3,5-10H2,1H3
InChI Key:
ZGXYXCBHVQRDQX-UHFFFAOYSA-N
SMILES:
CCCCCC1CC1CC(=O)CC=C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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