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137762-03-9 | Cyclopentanone, 3-(3-buten-1-yl)-2,3-dimethyl-
CAS No: 137762-03-9 Catalog No: AG0013TF MDL No:
Product Description
Catalog Number:
AG0013TF
Chemical Name:
Cyclopentanone, 3-(3-buten-1-yl)-2,3-dimethyl-
CAS Number:
137762-03-9
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
3-but-3-enyl-2,3-dimethylcyclopentan-1-one
InChI:
InChI=1S/C11H18O/c1-4-5-7-11(3)8-6-10(12)9(11)2/h4,9H,1,5-8H2,2-3H3
InChI Key:
UBSHXVQDUGVKCK-UHFFFAOYSA-N
SMILES:
CC1(CCC=C)CCC(=O)C1C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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