AG000CP5

116530-60-0 | 2H-Inden-2-one, 1,3-dihydro-5-nitro-

AG000CP5

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CAS Number	116530-60-0
Catalog Number	AG000CP5(AGN-PC-0K63WA)
Chemical Name	2H-Inden-2-one, 1,3-dihydro-5-nitro-
IUPAC Name	5-nitro-1,3-dihydroinden-2-one
InChI	InChI=1S/C9H7NO3/c11-9-4-6-1-2-8(10(12)13)3-7(6)5-9/h1-3H,4-5H2
InChI Key	VSEBFWRYDORZJI-UHFFFAOYSA-N
MDL Number	MFCD00598938
Molecular Formula	C9H7NO3
Molecular Weight	177.1568
SMILES	[N+](=O)([O-])C=1C=C2CC(CC2=CC1)=O
Synonyms	5-Nitro-2-indanone, 116530-60-0, 5-Nitro-1H-inden-2(3H)-one, 5-nitro-1,3-dihydroinden-2-one, 5-nitroindan-2-one, 2H-INDEN-2-ONE, 1,3-DIHYDRO-5-NITRO-, 5-nitro-1,3-dihydro-2H-inden-2-one, 5-NITRO-INDAN-2-ONE, AK-88769, PubChem18090, ACMC-2099su, AC1LT41U, SCHEMBL1785799, CTK4A9843, DTXSID80363600, VSEBFWRYDORZJI-UHFFFAOYSA-N, BCP11556, CS-B1154, ZINC1420785, ANW-16972, CN-178, FCH920699, MFCD00598938, SBB069482, AKOS006343945, AB06515, RP23856, VZ30513, 2H-Inden-2-one,1,3-dihydro-5-nitro-, AJ-25802, AM803000, AN-33139, BP-22381, CJ-23326, DS-18517, AB0076809, AX8027259, DB-007092, RT-010390, ST2418835, 4CH-000510, FT-0600232, Z7782, B-6506, N12350, 530N600, A803635, J-003454, J-517859, S14-0893, C9H7NO3, CID1502066, C2285,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.043g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	177.159g/mol
Monoisotopic Mass	177.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	62.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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