Home Carboxys 6-hydroxy-1-benzofuran-3-carboxylic acid

6-hydroxy-1-benzofuran-3-carboxylic acid

CAS No.:
115693-71-5
Catalog Number:
AG01AIDF
Molecular Formula:
C9H6O4
Molecular Weight:
178.1415
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Product Description
Catalog Number:
AG01AIDF
Chemical Name:
6-hydroxy-1-benzofuran-3-carboxylic acid
CAS Number:
115693-71-5
Molecular Formula:
C9H6O4
Molecular Weight:
178.1415
MDL Number:
MFCD15144171
IUPAC Name:
6-hydroxy-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C9H6O4/c10-5-1-2-6-7(9(11)12)4-13-8(6)3-5/h1-4,10H,(H,11,12)
InChI Key:
QAOIAZYIBZFHKD-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)occ2C(=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:
1.5  
Properties