2H-1-Benzopyran-4-acetic acid, 7-methoxy-2-oxo-


Chemical Name: 2H-1-Benzopyran-4-acetic acid, 7-methoxy-2-oxo-
CAS Number: 62935-72-2
Product Number: AG00IB44(AGN-PC-0JMEO9)
Synonyms:
MDL No:
Molecular Formula: C12H10O5
Molecular Weight: 234.2048

Identification/Properties


Properties
MP:
193 °C (dec.);
BP:
472.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Solubility:
Soluble in acetone and dimethyl sulfoxide.
Computed Properties
Molecular Weight:
234.207g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
234.053g/mol
Monoisotopic Mass:
234.053g/mol
Topological Polar Surface Area:
72.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
360
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-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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