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87802-22-0 | 2-Propen-1-one, 1-(4,4-dimethyl-1-cyclopenten-1-yl)-
CAS No: 87802-22-0 Catalog No: AG004I4K MDL No:
Product Description
Catalog Number:
AG004I4K
Chemical Name:
2-Propen-1-one, 1-(4,4-dimethyl-1-cyclopenten-1-yl)-
CAS Number:
87802-22-0
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
1-(4,4-dimethylcyclopenten-1-yl)prop-2-en-1-one
InChI:
InChI=1S/C10H14O/c1-4-9(11)8-5-6-10(2,3)7-8/h4-5H,1,6-7H2,2-3H3
InChI Key:
MDQBPZFTVXXHSM-UHFFFAOYSA-N
SMILES:
C=CC(=O)C1=CCC(C1)(C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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