2-Benzofurancarboxylic acid, 3-methyl-, ethyl ester


Chemical Name: 2-Benzofurancarboxylic acid, 3-methyl-, ethyl ester
CAS Number: 22367-82-4
Product Number: AG00BBU1(AGN-PC-0K20WR)
Synonyms:
MDL No:
Molecular Formula: C12H12O3
Molecular Weight: 204.2219

Identification/Properties


Computed Properties
Molecular Weight:
204.225g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
204.079g/mol
Monoisotopic Mass:
204.079g/mol
Topological Polar Surface Area:
39.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
239
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P261-P280-P305+P351+P338-P304+P340
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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