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89506-45-6 | 2-Cyclopenten-1-one, 5-(2-oxobutyl)-2-pentyl-
CAS No: 89506-45-6 Catalog No: AG0041EW MDL No:
Product Description
Catalog Number:
AG0041EW
Chemical Name:
2-Cyclopenten-1-one, 5-(2-oxobutyl)-2-pentyl-
CAS Number:
89506-45-6
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
5-(2-oxobutyl)-2-pentylcyclopent-2-en-1-one
InChI:
InChI=1S/C14H22O2/c1-3-5-6-7-11-8-9-12(14(11)16)10-13(15)4-2/h8,12H,3-7,9-10H2,1-2H3
InChI Key:
PIELLXYHMYIMKV-UHFFFAOYSA-N
SMILES:
CCCCCC1=CCC(C1=O)CC(=O)CC
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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