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87394-37-4 | Cyclopentanone, 2-(1,1-dimethyl-2-propenyl)-2-methyl-
CAS No: 87394-37-4 Catalog No: AG004NPM MDL No:
Product Description
Catalog Number:
AG004NPM
Chemical Name:
Cyclopentanone, 2-(1,1-dimethyl-2-propenyl)-2-methyl-
CAS Number:
87394-37-4
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
2-methyl-2-(2-methylbut-3-en-2-yl)cyclopentan-1-one
InChI:
InChI=1S/C11H18O/c1-5-10(2,3)11(4)8-6-7-9(11)12/h5H,1,6-8H2,2-4H3
InChI Key:
YVVCZATVERJAOT-UHFFFAOYSA-N
SMILES:
C=CC(C1(C)CCCC1=O)(C)C
Properties
Complexity:
215
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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