AG003JI2

42059-80-3 | 3-FORMYL-6-NITROCHROMONE

AG003JI2

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CAS Number	42059-80-3
Catalog Number	AG003JI2(AGN-PC-0WBOHB)
Chemical Name	3-FORMYL-6-NITROCHROMONE
IUPAC Name	6-nitro-4-oxochromene-3-carbaldehyde
InChI	InChI=1S/C10H5NO5/c12-4-6-5-16-9-2-1-7(11(14)15)3-8(9)10(6)13/h1-5H
InChI Key	JBDRQGWTNRIJRV-UHFFFAOYSA-N
MDL Number	MFCD00192184
Molecular Formula	C10H5NO5
Molecular Weight	219.1504
SMILES	O=C1C(C=O)=COC2=C1C=C([N+]([O-])=O)C=C2
Synonyms	3-Formyl-6-nitrochromone, 42059-80-3, 6-Nitro-4-oxo-4H-chromene-3-carbaldehyde, 6-nitro-4-oxochromene-3-carbaldehyde, 6-Nitro-4-oxo-4H-1-benzopyran-3-carboxaldehyde, CHEMBL314564, MFCD00192184, AC1LOQWH, ACMC-1AKDP, AC1Q1Y6M, AC1Q1Y6N, 4H-1-benzopyran-3-carboxaldehyde, 6-nitro-4-oxo-, 6-nitrochromone-3-carbaldehyde, SCHEMBL1997539, SCHEMBL13978670, CTK4I5647, DTXSID20361448, 3-Formyl-6-nitrochromone, 99%, ZINC1081183, 6022AH, BDBM50131072, AKOS009157145, AKOS015916578, 6-nitro-4-oxo-chromene-3-carbaldehyde, MCULE-5125682930, BP-12628, ST51001476, 6-nitro-4-oxo-1-benzopyran-3-carboxaldehyde, EN300-55225, A-7828, 6-nitro-4-oxidanylidene-chromene-3-carbaldehyde, 4H-1-Benzopyran-3-carboxaldehyde,6-nitro-4-oxo-, A825742, AQ-358/42007337, I14-51321, C10H5NO5, AIDS337632, CID1268078,

Complexity	370
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.017g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	219.152g/mol
Monoisotopic Mass	219.017g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	89.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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