Home Carboxys 6-Hydroxybenzofuran-2-carboxylic Acid

6-Hydroxybenzofuran-2-carboxylic Acid

CAS No.:
334022-87-6
Catalog Number:
AG0037MJ
Molecular Formula:
C9H6O4
Molecular Weight:
178.1415
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Product Description
Catalog Number:
AG0037MJ
Chemical Name:
6-Hydroxybenzofuran-2-carboxylic Acid
CAS Number:
334022-87-6
Molecular Formula:
C9H6O4
Molecular Weight:
178.1415
MDL Number:
MFCD11101030
IUPAC Name:
6-hydroxy-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H6O4/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4,10H,(H,11,12)
InChI Key:
YVQBMJRTSYWMFD-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(c2)C(=O)O
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.027g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.143g/mol
Monoisotopic Mass:
178.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties