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192644-21-6 | Methanone, (3,5-dimethylphenyl)(2-methylcyclopropyl)-
CAS No: 192644-21-6 Catalog No: AG002G66 MDL No:
Product Description
Catalog Number:
AG002G66
Chemical Name:
Methanone, (3,5-dimethylphenyl)(2-methylcyclopropyl)-
CAS Number:
192644-21-6
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
(3,5-dimethylphenyl)-(2-methylcyclopropyl)methanone
InChI:
InChI=1S/C13H16O/c1-8-4-9(2)6-11(5-8)13(14)12-7-10(12)3/h4-6,10,12H,7H2,1-3H3
InChI Key:
RKMBKJXKQOIWTP-UHFFFAOYSA-N
SMILES:
CC1CC1C(=O)c1cc(C)cc(c1)C
Properties
Complexity:
223
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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