2H-1-Benzopyran-3-carboxylic acid


Chemical Name: 2H-1-Benzopyran-3-carboxylic acid
CAS Number: 22649-28-1
Product Number: AG00BDLI(AGN-PC-0JOZTZ)
Synonyms:
MDL No:
Molecular Formula: C10H8O3
Molecular Weight: 176.1687

Identification/Properties


Properties
MP:
184-186 °C
BP:
327.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
176.171g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
176.047g/mol
Monoisotopic Mass:
176.047g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
245
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


NMR Spectrum


Other Analytical Data


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