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13529-17-4 | 5-Formylfuran-2-carboxylic acid
CAS No: 13529-17-4 Catalog No: AG00349Z MDL No:MFCD00020924
Product Description
Catalog Number:
AG00349Z
Chemical Name:
5-Formylfuran-2-carboxylic acid
CAS Number:
13529-17-4
Molecular Formula:
C6H4O4
Molecular Weight:
140.0936
MDL Number:
MFCD00020924
IUPAC Name:
5-formylfuran-2-carboxylic acid
InChI:
InChI=1S/C6H4O4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,(H,8,9)
InChI Key:
SHNRXUWGUKDPMA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)C(=O)O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.011g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.094g/mol
Monoisotopic Mass:
140.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Microbial degradation of furanic compounds: biochemistry, genetics, and impact. | Applied microbiology and biotechnology 20111201 |
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