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88096-25-7 | 1H-Inden-1-one, 2,3-dihydro-2-methyl-3-methylene-2-(1-methylethyl)-
CAS No: 88096-25-7 Catalog No: AG004G8V MDL No:
Product Description
Catalog Number:
AG004G8V
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-2-methyl-3-methylene-2-(1-methylethyl)-
CAS Number:
88096-25-7
Molecular Formula:
C14H16O
Molecular Weight:
200.2762
IUPAC Name:
2-methyl-3-methylidene-2-propan-2-ylinden-1-one
InChI:
InChI=1S/C14H16O/c1-9(2)14(4)10(3)11-7-5-6-8-12(11)13(14)15/h5-9H,3H2,1-2,4H3
InChI Key:
GRGGRPTZDKKNCR-UHFFFAOYSA-N
SMILES:
CC(C1(C)C(=C)c2c(C1=O)cccc2)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.12g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.281g/mol
Monoisotopic Mass:
200.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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