Home Carboxys 2-(carboxymethyl)-4-methylfuran-3-carboxylic acid

2-(carboxymethyl)-4-methylfuran-3-carboxylic acid

CAS No.:
139422-34-7
Catalog Number:
AG01AE23
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
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Product Description
Catalog Number:
AG01AE23
Chemical Name:
2-(carboxymethyl)-4-methylfuran-3-carboxylic acid
CAS Number:
139422-34-7
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
MDL Number:
MFCD20640655
IUPAC Name:
2-(carboxymethyl)-4-methylfuran-3-carboxylic acid
InChI:
InChI=1S/C8H8O5/c1-4-3-13-5(2-6(9)10)7(4)8(11)12/h3H,2H2,1H3,(H,9,10)(H,11,12)
InChI Key:
WHRXGHXENVTYPE-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1occ(c1C(=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:
2  
Isotope Atom Count:
0
Molecular Weight:
184.147g/mol
Monoisotopic Mass:
184.037g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties