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


Chemical Name: 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-
CAS Number: 4940-39-0
Product Number: AG0070NU(AGN-PC-0JK6C3)
Synonyms:
MDL No:
Molecular Formula: C10H6O4
Molecular Weight: 190.1522

Identification/Properties


Computed Properties
Molecular Weight:
190.154g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
190.027g/mol
Monoisotopic Mass:
190.027g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
305
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

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NMR Spectrum


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