Home Carboxys 5-hydroxy-1-benzofuran-3-carboxylic acid

5-hydroxy-1-benzofuran-3-carboxylic acid

CAS No.:
29735-85-1
Catalog Number:
AG01CA9F
Molecular Formula:
C9H6O4
Molecular Weight:
178.1415
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Product Description
Catalog Number:
AG01CA9F
Chemical Name:
5-hydroxy-1-benzofuran-3-carboxylic acid
CAS Number:
29735-85-1
Molecular Formula:
C9H6O4
Molecular Weight:
178.1415
MDL Number:
MFCD15144229
IUPAC Name:
5-hydroxy-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C9H6O4/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4,10H,(H,11,12)
InChI Key:
GWWDURABERRAPL-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(co2)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:
1.5  
Properties