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

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

CAS No.:
1359657-46-7
Catalog Number:
AG01B5MQ
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
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Product Description
Catalog Number:
AG01B5MQ
Chemical Name:
5-(methoxycarbonyl)-2-methylfuran-3-carboxylic acid
CAS Number:
1359657-46-7
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
MDL Number:
MFCD01006024
IUPAC Name:
5-methoxycarbonyl-2-methylfuran-3-carboxylic acid
InChI:
InChI=1S/C8H8O5/c1-4-5(7(9)10)3-6(13-4)8(11)12-2/h3H,1-2H3,(H,9,10)
InChI Key:
NVOLOVXCFVLERG-UHFFFAOYSA-N
SMILES:
COC(=O)c1oc(c(c1)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:
1.1  
Properties