1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, (2R)-


Chemical Name: 1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, (2R)-
CAS Number: 70918-53-5
Product Number: AG0032ED(AGN-PC-0OGY2F)
Synonyms:
MDL No: MFCD00239407
Molecular Formula: C9H8O4
Molecular Weight: 180.1574

Identification/Properties


Properties
MP:
96-99 °C
BP:
347.2 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
180.159g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
180.042g/mol
Monoisotopic Mass:
180.042g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
204
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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