Home Carboxys Quinazoline-6-carboxylic acid

Quinazoline-6-carboxylic acid

CAS No.:
676326-53-7
Catalog Number:
AG006M71
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$388
- +
250mg
95%
In Stock USA
United States
$613
- +
1g
95%
In Stock USA
United States
$1525
- +
Product Description
Catalog Number:
AG006M71
Chemical Name:
Quinazoline-6-carboxylic acid
CAS Number:
676326-53-7
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
MDL Number:
MFCD11520386
IUPAC Name:
quinazoline-6-carboxylic acid
InChI:
InChI=1S/C9H6N2O2/c12-9(13)6-1-2-8-7(3-6)4-10-5-11-8/h1-5H,(H,12,13)
InChI Key:
WWABBFPTGJZEDN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)cncn2
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.159g/mol
Monoisotopic Mass:
174.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Isolation, structure elucidation, and biological activity of a new alkaloid from Zanthoxylum rhetsa. Natural product communications 20111101
Properties