Home Carboxys 3-Oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid

3-Oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid

CAS No.:
4743-61-7
Catalog Number:
AG00I8N9
Molecular Formula:
C9H6O4
Molecular Weight:
178.1415
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$585
- +
Product Description
Catalog Number:
AG00I8N9
Chemical Name:
3-Oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid
CAS Number:
4743-61-7
Molecular Formula:
C9H6O4
Molecular Weight:
178.1415
MDL Number:
MFCD20655493
IUPAC Name:
3-oxo-1H-2-benzofuran-5-carboxylic acid
InChI:
InChI=1S/C9H6O4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3H,4H2,(H,10,11)
InChI Key:
VUBKPUVOSWVXMI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)C(=O)OC2
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:
0.3  
Properties