Home Carboxys 3-formyl-1-benzofuran-2-carboxylic acid

3-formyl-1-benzofuran-2-carboxylic acid

CAS No.:
136229-42-0
Catalog Number:
AG01BK7W
Molecular Formula:
C10H6O4
Molecular Weight:
190.1522
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Product Description
Catalog Number:
AG01BK7W
Chemical Name:
3-formyl-1-benzofuran-2-carboxylic acid
CAS Number:
136229-42-0
Molecular Formula:
C10H6O4
Molecular Weight:
190.1522
MDL Number:
MFCD20644727
IUPAC Name:
3-formyl-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C10H6O4/c11-5-7-6-3-1-2-4-8(6)14-9(7)10(12)13/h1-5H,(H,12,13)
InChI Key:
OIGAXMZPXOWBET-UHFFFAOYSA-N
SMILES:
O=Cc1c(oc2c1cccc2)C(=O)O
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.027g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.154g/mol
Monoisotopic Mass:
190.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties