Home Carboxys 4-Quinazolone-2-carboxylic Acid

4-Quinazolone-2-carboxylic Acid

CAS No.:
29113-34-6
Catalog Number:
AG002XDB
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$75
- +
1g
95%
In Stock USA
United States
$188
- +
5g
95%
In Stock USA
United States
$719
- +
Product Description
Catalog Number:
AG002XDB
Chemical Name:
4-Quinazolone-2-carboxylic Acid
CAS Number:
29113-34-6
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
MDL Number:
MFCD13193857
IUPAC Name:
4-oxo-3H-quinazoline-2-carboxylic acid
InChI:
InChI=1S/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-7(11-8)9(13)14/h1-4H,(H,13,14)(H,10,11,12)
InChI Key:
KVXWXOHXKMKMTR-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2ccccc2c(=O)[nH]1
NSC Number:
159703
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.038g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
190.158g/mol
Monoisotopic Mass:
190.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties