Home Carboxys 3-Oxoisoindoline-4-carboxylic acid

3-Oxoisoindoline-4-carboxylic acid

CAS No.:
935269-27-5
Catalog Number:
AG00H32F
Molecular Formula:
C9H5NO3
Molecular Weight:
175.1409
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$188
- +
1g
97%
1 week
United States
$542
- +
Product Description
Catalog Number:
AG00H32F
Chemical Name:
3-Oxoisoindoline-4-carboxylic acid
CAS Number:
935269-27-5
Molecular Formula:
C9H5NO3
Molecular Weight:
175.1409
MDL Number:
MFCD25965985
IUPAC Name:
3-oxo-1,2-dihydroisoindole-4-carboxylic acid
InChI:
InChI=1S/C9H7NO3/c11-8-7-5(4-10-8)2-1-3-6(7)9(12)13/h1-3H,4H2,(H,10,11)(H,12,13)
InChI Key:
SONYZPKBPBFLSS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1C(=O)N=C2
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties