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177997-32-9 | 1H-Indene-1,2(3H)-dione, 1-oxime
CAS No: 177997-32-9 Catalog No: AG0025OT MDL No:
Product Description
Catalog Number:
AG0025OT
Chemical Name:
1H-Indene-1,2(3H)-dione, 1-oxime
CAS Number:
177997-32-9
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
IUPAC Name:
3-hydroxyimino-1H-inden-2-one
InChI:
InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)9(8)10-12/h1-4,12H,5H2
InChI Key:
XQIGBRLRMSTKFZ-UHFFFAOYSA-N
SMILES:
ON=C1C(=O)Cc2c1cccc2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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