Home Carboxys 3-Furancarboxylic acid, 5-(hydroxymethyl)-

3-Furancarboxylic acid, 5-(hydroxymethyl)-

CAS No.:
246178-75-6
Catalog Number:
AG002OS3
Molecular Formula:
C6H6O4
Molecular Weight:
142.1094
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Product Description
Catalog Number:
AG002OS3
Chemical Name:
3-Furancarboxylic acid, 5-(hydroxymethyl)-
CAS Number:
246178-75-6
Molecular Formula:
C6H6O4
Molecular Weight:
142.1094
MDL Number:
MFCD16702598
IUPAC Name:
5-(hydroxymethyl)furan-3-carboxylic acid
InChI:
InChI=1S/C6H6O4/c7-2-5-1-4(3-10-5)6(8)9/h1,3,7H,2H2,(H,8,9)
InChI Key:
ZEACFIAQNKKVPN-UHFFFAOYSA-N
SMILES:
OCc1occ(c1)C(=O)O
Properties
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.027g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
142.11g/mol
Monoisotopic Mass:
142.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
Cryptoporic and isocryptoporic acids from the fungal cultures of Polyporus arcularius and P. ciliatus. Phytochemistry 20020901
Properties