4H-1-Benzopyran-4-one, 2,3-dihydro-6-nitro-


Chemical Name: 4H-1-Benzopyran-4-one, 2,3-dihydro-6-nitro-
CAS Number: 68043-53-8
Product Number: AG00IBSC(AGN-PC-0LOU44)
Synonyms:
MDL No:
Molecular Formula: C9H7NO4
Molecular Weight: 193.1562

Identification/Properties


Computed Properties
Molecular Weight:
193.158g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
193.038g/mol
Monoisotopic Mass:
193.038g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
260
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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