Home Carboxys 4-aminoquinazoline-7-carboxylic acid

4-aminoquinazoline-7-carboxylic acid

CAS No.:
1017385-11-3
Catalog Number:
AG01ALQS
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
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Product Description
Catalog Number:
AG01ALQS
Chemical Name:
4-aminoquinazoline-7-carboxylic acid
CAS Number:
1017385-11-3
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD07754182
IUPAC Name:
4-aminoquinazoline-7-carboxylic acid
InChI:
InChI=1S/C9H7N3O2/c10-8-6-2-1-5(9(13)14)3-7(6)11-4-12-8/h1-4H,(H,13,14)(H2,10,11,12)
InChI Key:
LLWPSTZOWBGKFK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)ncnc2N
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties