3-Furancarboxylic acid, tetrahydro-4-oxo-, ethyl ester


Chemical Name: 3-Furancarboxylic acid, tetrahydro-4-oxo-, ethyl ester
CAS Number: 89898-51-1
Product Number: AG00IFVJ(AGN-PC-03GF2S)
Synonyms:
MDL No:
Molecular Formula: C7H10O4
Molecular Weight: 158.1519

Identification/Properties


Computed Properties
Molecular Weight:
158.153g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
158.058g/mol
Monoisotopic Mass:
158.058g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
175
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#:
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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