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89506-38-7 | 1H-Inden-1-one, 2,3-dihydro-2-(2-oxobutyl)-
CAS No: 89506-38-7 Catalog No: AG0041EY MDL No:
Product Description
Catalog Number:
AG0041EY
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-2-(2-oxobutyl)-
CAS Number:
89506-38-7
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
2-(2-oxobutyl)-2,3-dihydroinden-1-one
InChI:
InChI=1S/C13H14O2/c1-2-11(14)8-10-7-9-5-3-4-6-12(9)13(10)15/h3-6,10H,2,7-8H2,1H3
InChI Key:
KSJCASZAVLVCLH-UHFFFAOYSA-N
SMILES:
CCC(=O)CC1Cc2c(C1=O)cccc2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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