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  • 1H-Inden-1-one,2,3-dihydro-3,3-dimethyl
Name:1H-Inden-1-one,2,3-dihydro-3,3-dimethyl
CAS No:26465-81-6

PRODUCT DESCRIPTION

【Name】
1H-Inden-1-one,2,3-dihydro-3,3-dimethyl-
【Iupac name】
3,3-dimethyl-2H-inden-1-one
【CAS Registry number】
26465-81-6
【Synonyms】
1-Indanone,3,3-dimethyl- (6CI,7CI,8CI)
3,3-Dimethyl-1-indanone
3,3-Dimethylindanone
NSC200698
【Molecular Formula】
C11H12O (Products with the same molecular formula)
【Molecular Weight】
160.21
【Inchi】
InChI=1/C11H12O/c1-11(2)7-10(12)8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3
【Canonical SMILES】
CC1(CC(=O)C2=CC=CC=C21)C
【MOL File】
26465-81-6.mol

Chemical and Physical Properties

【Density】
1.044g/cm3
【Boiling Point】
250.8°Cat760mmHg
【Vapour】
0.0212mmHg at 25°C
【Refractive Index】
1.536
【Flash Point】
100.4°C
【Storage temp】
Refrigerator
【Computed Properties】
Molecular Weight:160.21238 [g/mol]
Molecular Formula:C11H12O
XLogP3-AA:2.5
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:160.088815
MonoIsotopic Mass:160.088815
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Formal Charge:0
Complexity:205
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
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0.4
Conformer Sampling RMSD:0.4
CID Conformer Count:1

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