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102296-44-6

102296-44-6 | Ethanone, 1-(2,3-dihydro-1,1-dimethyl-1H-inden-5-yl)-

CAS No: 102296-44-6 Catalog No: AG000752 MDL No:

Product Description

Catalog Number:
AG000752
Chemical Name:
Ethanone, 1-(2,3-dihydro-1,1-dimethyl-1H-inden-5-yl)-
CAS Number:
102296-44-6
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
1-(1,1-dimethyl-2,3-dihydroinden-5-yl)ethanone
InChI:
InChI=1S/C13H16O/c1-9(14)10-4-5-12-11(8-10)6-7-13(12,2)3/h4-5,8H,6-7H2,1-3H3
InChI Key:
HVENCELDSVORNF-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)CCC2(C)C
EC Number:
600-296-7

Properties

Complexity:
242  
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:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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