Home Carboxys 3-Furancarboxylicacid, 5-formyl-2-methyl-, methyl ester

3-Furancarboxylicacid, 5-formyl-2-methyl-, methyl ester

CAS No.:
81661-26-9
Catalog Number:
AG005JFA
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
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Product Description
Catalog Number:
AG005JFA
Chemical Name:
3-Furancarboxylicacid, 5-formyl-2-methyl-, methyl ester
CAS Number:
81661-26-9
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
MDL Number:
MFCD03407372
IUPAC Name:
methyl 5-formyl-2-methylfuran-3-carboxylate
InChI:
InChI=1S/C8H8O4/c1-5-7(8(10)11-2)3-6(4-9)12-5/h3-4H,1-2H3
InChI Key:
WINMHOHYPKKTEM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(oc1C)C=O
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.148g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties