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16214-27-0 | 1,2-Indanedione
CAS No: 16214-27-0 Catalog No: AG001SSG MDL No:MFCD00463378
Product Description
Catalog Number:
AG001SSG
Chemical Name:
1,2-Indanedione
CAS Number:
16214-27-0
Molecular Formula:
C9H6O2
Molecular Weight:
146.1427
MDL Number:
MFCD00463378
IUPAC Name:
3H-indene-1,2-dione
InChI:
InChI=1S/C9H6O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4H,5H2
InChI Key:
WFFZGYRTVIPBFN-UHFFFAOYSA-N
SMILES:
O=C1C(=O)Cc2c1cccc2
NSC Number:
62555
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.145g/mol
Monoisotopic Mass:
146.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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