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88096-23-5 | 1H-Inden-1-one, 2,3-dihydro-2-methyl-3-methylene-2-(2-phenylethyl)-
CAS No: 88096-23-5 Catalog No: AG004G8X MDL No:
Product Description
Catalog Number:
AG004G8X
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-2-methyl-3-methylene-2-(2-phenylethyl)-
CAS Number:
88096-23-5
Molecular Formula:
C19H18O
Molecular Weight:
262.3456
IUPAC Name:
2-methyl-3-methylidene-2-(2-phenylethyl)inden-1-one
InChI:
InChI=1S/C19H18O/c1-14-16-10-6-7-11-17(16)18(20)19(14,2)13-12-15-8-4-3-5-9-15/h3-11H,1,12-13H2,2H3
InChI Key:
GIPFQIRYVXDISL-UHFFFAOYSA-N
SMILES:
C=C1c2ccccc2C(=O)C1(C)CCc1ccccc1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.352g/mol
Monoisotopic Mass:
262.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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