7-HYDROXYCOUMARIN-4-ACETIC ACID


Chemical Name: 7-HYDROXYCOUMARIN-4-ACETIC ACID
CAS Number: 6950-82-9
Product Number: AG003NFN(AGN-PC-0WAFWJ)
Synonyms:
MDL No:
Molecular Formula: C11H8O5
Molecular Weight: 220.1782

Identification/Properties


Properties
MP:
212°C(dec.)(lit.)
BP:
523.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Solubility:
DMF: soluble
Computed Properties
Molecular Weight:
220.18g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
220.037g/mol
Monoisotopic Mass:
220.037g/mol
Topological Polar Surface Area:
83.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
346
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:
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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