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150192-46-4 | 1H-Inden-1-one, 3-(3,3-dimethyl-1-butyn-1-yl)-2-(1,1-dimethylethyl)-
CAS No: 150192-46-4 Catalog No: AG001MEI MDL No:
Product Description
Catalog Number:
AG001MEI
Chemical Name:
1H-Inden-1-one, 3-(3,3-dimethyl-1-butyn-1-yl)-2-(1,1-dimethylethyl)-
CAS Number:
150192-46-4
Molecular Formula:
C19H22O
Molecular Weight:
266.3774
IUPAC Name:
2-tert-butyl-3-(3,3-dimethylbut-1-ynyl)inden-1-one
InChI:
InChI=1S/C19H22O/c1-18(2,3)12-11-14-13-9-7-8-10-15(13)17(20)16(14)19(4,5)6/h7-10H,1-6H3
InChI Key:
LCDGPDJEMZCZIZ-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=C1C(C)(C)C)C#CC(C)(C)C
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.167g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.384g/mol
Monoisotopic Mass:
266.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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