4H-1-Benzopyran-2-carboxylic acid, 6-chloro-4-oxo-


Chemical Name: 4H-1-Benzopyran-2-carboxylic acid, 6-chloro-4-oxo-
CAS Number: 5006-45-1
Product Number: AG00DE48(AGN-PC-0JKFOO)
Synonyms:
MDL No:
Molecular Formula: C10H5ClO4
Molecular Weight: 224.5973

Identification/Properties


Properties
MP:
254-256°C
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
224.596g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
223.988g/mol
Monoisotopic Mass:
223.988g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
336
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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