Home Carboxys 5-acetylfuran-2-carboxylic acid

5-acetylfuran-2-carboxylic acid

CAS No.:
13341-77-0
Catalog Number:
AG01BF65
Molecular Formula:
C7H6O4
Molecular Weight:
154.1201
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Product Description
Catalog Number:
AG01BF65
Chemical Name:
5-acetylfuran-2-carboxylic acid
CAS Number:
13341-77-0
Molecular Formula:
C7H6O4
Molecular Weight:
154.1201
MDL Number:
MFCD18431708
IUPAC Name:
5-acetylfuran-2-carboxylic acid
InChI:
InChI=1S/C7H6O4/c1-4(8)5-2-3-6(11-5)7(9)10/h2-3H,1H3,(H,9,10)
InChI Key:
MVLQSHUTWBHYIU-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(o1)C(=O)O
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.027g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.121g/mol
Monoisotopic Mass:
154.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties