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13304-50-2 | 1H-Inden-1-one, 3-ethyl-2-phenyl-
CAS No: 13304-50-2 Catalog No: AG0011K2 MDL No:
Product Description
Catalog Number:
AG0011K2
Chemical Name:
1H-Inden-1-one, 3-ethyl-2-phenyl-
CAS Number:
13304-50-2
Molecular Formula:
C17H14O
Molecular Weight:
234.2925
IUPAC Name:
3-ethyl-2-phenylinden-1-one
InChI:
InChI=1S/C17H14O/c1-2-13-14-10-6-7-11-15(14)17(18)16(13)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChI Key:
OJVSETSEVSKLHT-UHFFFAOYSA-N
SMILES:
CCC1=C(c2ccccc2)C(=O)c2c1cccc2
NSC Number:
84284
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.104g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.298g/mol
Monoisotopic Mass:
234.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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