AG003NBD

51484-05-0 | 6-Nitro-4H-chromen-4-one

AG003NBD

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CAS Number	51484-05-0
Catalog Number	AG003NBD(AGN-PC-0JWYKZ)
Chemical Name	6-Nitro-4H-chromen-4-one
IUPAC Name	6-nitrochromen-4-one
InChI	InChI=1S/C9H5NO4/c11-8-3-4-14-9-2-1-6(10(12)13)5-7(8)9/h1-5H
InChI Key	ORWADBVBOPTYQT-UHFFFAOYSA-N
MDL Number	MFCD02954226
Molecular Formula	C9H5NO4
Molecular Weight	191.1403
SMILES	O=C1C=COC2=C1C=C([N+]([O-])=O)C=C2
Synonyms	6-Nitrochromone, 51484-05-0, 6-nitro-4H-chromen-4-one, 6-Nitrobenzopyran-4-one, MFCD02954226, 6-nitrochromen-4-one, ACMC-20alxw, 6-Nitrochromone, 97%, Oprea1_426592, AC1LI295, SCHEMBL1166470, SCHEMBL13978661, CTK4J4332, DTXSID50357218, 6-Nitro-4-oxo-4H-1-benzopyran, 6-Nitro-4H-1-benzopyran-4-one, ORWADBVBOPTYQT-UHFFFAOYSA-N, ZINC381740, 4H-1-Benzopyran-4-one,6-nitro-, 6023AH, AKOS015889600, AKOS016845891, FCH1121464, MCULE-4019305760, ACM51484050, AJ-20348, ZB011208, AX8109856, FT-0694796, N1003, AO-079/15259028, I01-19634, C9H5NO4, CID847716, ZINC00381740, C2983, A-9000, 68043-53-8,

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.022g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.142g/mol
Monoisotopic Mass	191.022g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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