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Home > Nitro Compounds > 20854-76-6
20854-76-6 | 1H-Indene-1,3(2H)-dione, 2-nitroso-
CAS No: 20854-76-6 Catalog No: AG002JS5 MDL No:
Product Description
Catalog Number:
AG002JS5
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-nitroso-
CAS Number:
20854-76-6
Molecular Formula:
C9H5NO3
Molecular Weight:
175.1409
IUPAC Name:
2-nitrosoindene-1,3-dione
InChI:
InChI=1S/C9H5NO3/c11-8-5-3-1-2-4-6(5)9(12)7(8)10-13/h1-4,7H
InChI Key:
ZQQVLLUALVAKKD-UHFFFAOYSA-N
SMILES:
O=NC1C(=O)c2c(C1=O)cccc2
EC Number:
244-083-3
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.027g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.143g/mol
Monoisotopic Mass:
175.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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