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88096-20-2 | 1H-Inden-1-one, 2-ethyl-2,3-dihydro-2-methyl-3-methylene-
CAS No: 88096-20-2 Catalog No: AG004J2F MDL No:
Product Description
Catalog Number:
AG004J2F
Chemical Name:
1H-Inden-1-one, 2-ethyl-2,3-dihydro-2-methyl-3-methylene-
CAS Number:
88096-20-2
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
IUPAC Name:
2-ethyl-2-methyl-3-methylideneinden-1-one
InChI:
InChI=1S/C13H14O/c1-4-13(3)9(2)10-7-5-6-8-11(10)12(13)14/h5-8H,2,4H2,1,3H3
InChI Key:
PDDUVPYZFIDJJJ-UHFFFAOYSA-N
SMILES:
CCC1(C)C(=C)c2c(C1=O)cccc2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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