Home Carboxys 2-oxo-2,3-dihydro-1-benzofuran-7-carboxylic acid

2-oxo-2,3-dihydro-1-benzofuran-7-carboxylic acid

CAS No.:
855221-95-3
Catalog Number:
AG01BACX
Molecular Formula:
C9H6O4
Molecular Weight:
178.1415
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BACX
Chemical Name:
2-oxo-2,3-dihydro-1-benzofuran-7-carboxylic acid
CAS Number:
855221-95-3
Molecular Formula:
C9H6O4
Molecular Weight:
178.1415
MDL Number:
MFCD20642248
IUPAC Name:
2-oxo-3H-1-benzofuran-7-carboxylic acid
InChI:
InChI=1S/C9H6O4/c10-7-4-5-2-1-3-6(9(11)12)8(5)13-7/h1-3H,4H2,(H,11,12)
InChI Key:
WKYVTINVBCHWSR-UHFFFAOYSA-N
SMILES:
O=C1Oc2c(C1)cccc2C(=O)O
Properties
Complexity:
248  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
178.143g/mol
Monoisotopic Mass:
178.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties