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76843-91-9 | 2-Pentanone, 1-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CAS No: 76843-91-9 Catalog No: AG005HJM MDL No:
Product Description
Catalog Number:
AG005HJM
Chemical Name:
2-Pentanone, 1-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CAS Number:
76843-91-9
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-one
InChI:
InChI=1S/C13H22O/c1-5-6-12(14)9-11-8-7-10(2)13(11,3)4/h7,11H,5-6,8-9H2,1-4H3
InChI Key:
AANCOFZNSITPFE-UHFFFAOYSA-N
SMILES:
CCCC(=O)CC1CC=C(C1(C)C)C
Properties
Complexity:
248
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:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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