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28945-90-6 | 1H-Inden-1-one, 5-ethoxy-2,3-dihydro-
CAS No: 28945-90-6 Catalog No: AG002X4W MDL No:
Product Description
Catalog Number:
AG002X4W
Chemical Name:
1H-Inden-1-one, 5-ethoxy-2,3-dihydro-
CAS Number:
28945-90-6
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
5-ethoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C11H12O2/c1-2-13-9-4-5-10-8(7-9)3-6-11(10)12/h4-5,7H,2-3,6H2,1H3
InChI Key:
FLMVKFTYGACBNH-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)CCC2=O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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