1H-Inden-1-one, 6-(1,1-dimethylethyl)-2,3-dihydro-


Chemical Name: 1H-Inden-1-one, 6-(1,1-dimethylethyl)-2,3-dihydro-
CAS Number: 162752-17-2
Product Number: AG001TEE(AGN-PC-01VJ2X)
Synonyms:
MDL No:
Molecular Formula: C13H16O
Molecular Weight: 188.2655

Identification/Properties


Computed Properties
Molecular Weight:
188.27g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
188.12g/mol
Monoisotopic Mass:
188.12g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
236
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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