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827-92-9 | ethanone, 1-(2-phenylcyclopropyl)-
CAS No: 827-92-9 Catalog No: AG004XS4 MDL No:MFCD01821331
Product Description
Catalog Number:
AG004XS4
Chemical Name:
ethanone, 1-(2-phenylcyclopropyl)-
CAS Number:
827-92-9
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
MDL Number:
MFCD01821331
IUPAC Name:
1-(2-phenylcyclopropyl)ethanone
InChI:
InChI=1S/C11H12O/c1-8(12)10-7-11(10)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3
InChI Key:
LFKRVDCVJRDOBG-UHFFFAOYSA-N
SMILES:
CC(=O)C1CC1c1ccccc1
NSC Number:
33718
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Cyclopropyl conjugation and ketyl anions: when do things begin to fall apart? | Journal of the American Chemical Society 20070411 |
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