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89237-93-4 | 2-Propanone, 1-(1-methylcyclopropyl)-1-phenyl-
CAS No: 89237-93-4 Catalog No: AG0044FU MDL No:
Product Description
Catalog Number:
AG0044FU
Chemical Name:
2-Propanone, 1-(1-methylcyclopropyl)-1-phenyl-
CAS Number:
89237-93-4
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
1-(1-methylcyclopropyl)-1-phenylpropan-2-one
InChI:
InChI=1S/C13H16O/c1-10(14)12(13(2)8-9-13)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3
InChI Key:
HHBMEIFYVBRKKQ-UHFFFAOYSA-N
SMILES:
CC(=O)C(C1(C)CC1)c1ccccc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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