Home Carboxys 5-(methoxycarbonyl)-3-methylfuran-2-carboxylic acid

5-(methoxycarbonyl)-3-methylfuran-2-carboxylic acid

CAS No.:
2090165-27-6
Catalog Number:
AG01BIEI
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
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Product Description
Catalog Number:
AG01BIEI
Chemical Name:
5-(methoxycarbonyl)-3-methylfuran-2-carboxylic acid
CAS Number:
2090165-27-6
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
MDL Number:
MFCD30734211
IUPAC Name:
5-methoxycarbonyl-3-methylfuran-2-carboxylic acid
InChI:
InChI=1S/C8H8O5/c1-4-3-5(8(11)12-2)13-6(4)7(9)10/h3H,1-2H3,(H,9,10)
InChI Key:
ZBQYTPBUOHHTKY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c(o1)C(=O)O)C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.037g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.147g/mol
Monoisotopic Mass:
184.037g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties