Home Carboxys 3-(methoxycarbonyl)furan-2-carboxylic acid

3-(methoxycarbonyl)furan-2-carboxylic acid

CAS No.:
23268-41-9
Catalog Number:
AG01B8K7
Molecular Formula:
C7H6O5
Molecular Weight:
170.1195
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Product Description
Catalog Number:
AG01B8K7
Chemical Name:
3-(methoxycarbonyl)furan-2-carboxylic acid
CAS Number:
23268-41-9
Molecular Formula:
C7H6O5
Molecular Weight:
170.1195
MDL Number:
MFCD28246543
IUPAC Name:
3-methoxycarbonylfuran-2-carboxylic acid
InChI:
InChI=1S/C7H6O5/c1-11-7(10)4-2-3-12-5(4)6(8)9/h2-3H,1H3,(H,8,9)
InChI Key:
WULAGCQNPNLHMZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccoc1C(=O)O
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.022g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.12g/mol
Monoisotopic Mass:
170.022g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties