1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, ethyl ester


Chemical Name: 1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, ethyl ester
CAS Number: 4739-94-0
Product Number: AG0070R1(AGN-PC-0JPI9F)
Synonyms:
MDL No:
Molecular Formula: C11H12O4
Molecular Weight: 208.2106

Identification/Properties


Computed Properties
Molecular Weight:
208.213g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
208.074g/mol
Monoisotopic Mass:
208.074g/mol
Topological Polar Surface Area:
44.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
229
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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