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161695-23-4 | Ethanone, 1-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-
CAS No: 161695-23-4 Catalog No: AG001VSH MDL No:
Product Description
Catalog Number:
AG001VSH
Chemical Name:
Ethanone, 1-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-
CAS Number:
161695-23-4
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone
InChI:
InChI=1S/C13H16O/c1-3-13(10(2)14)8-11-6-4-5-7-12(11)9-13/h4-7H,3,8-9H2,1-2H3
InChI Key:
LQUORZGFSOHSMA-UHFFFAOYSA-N
SMILES:
CCC1(Cc2c(C1)cccc2)C(=O)C
Properties
Complexity:
217
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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