2H-1,4-Benzoxazine-5-carboxylic acid, 3,4-dihydro-3-oxo-


Chemical Name: 2H-1,4-Benzoxazine-5-carboxylic acid, 3,4-dihydro-3-oxo-
CAS Number: 483282-25-3
Product Number: AG00E77A(AGN-PC-03ZRT3)
Synonyms:
MDL No:
Molecular Formula: C9H7NO4
Molecular Weight: 193.1562

Identification/Properties


Computed Properties
Molecular Weight:
193.158g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
193.038g/mol
Monoisotopic Mass:
193.038g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
266
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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