Home Other Building Blocks 5-Carboxyphthalide

5-Carboxyphthalide

CAS No.:
4792-29-4
Catalog Number:
AG0037F6
Molecular Formula:
C9H6O4
Molecular Weight:
178.1415
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$125
- +
5g
98%
In Stock USA
United States
$313
- +
10g
98%
In Stock USA
United States
$500
- +
25g
98%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG0037F6
Chemical Name:
5-Carboxyphthalide
CAS Number:
4792-29-4
Molecular Formula:
C9H6O4
Molecular Weight:
178.1415
MDL Number:
MFCD04117971
IUPAC Name:
1-oxo-3H-2-benzofuran-5-carboxylic acid
InChI:
InChI=1S/C9H6O4/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2,(H,10,11)
InChI Key:
QTWUWCFGWYYRRL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)COC2=O
EC Number:
225-343-5
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