Home Nitriles 4-Hydroxyquinazoline-8-carbonitrile

4-Hydroxyquinazoline-8-carbonitrile

CAS No.:
663194-04-5
Catalog Number:
AG00IBL6
Molecular Formula:
C9H5N3O
Molecular Weight:
171.1555
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Product Description
Catalog Number:
AG00IBL6
Chemical Name:
4-Hydroxyquinazoline-8-carbonitrile
CAS Number:
663194-04-5
Molecular Formula:
C9H5N3O
Molecular Weight:
171.1555
MDL Number:
MFCD01646233
IUPAC Name:
4-oxo-3H-quinazoline-8-carbonitrile
InChI:
InChI=1S/C9H5N3O/c10-4-6-2-1-3-7-8(6)11-5-12-9(7)13/h1-3,5H,(H,11,12,13)
InChI Key:
BUQABABXGUUNKN-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1ncnc2O
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.159g/mol
Monoisotopic Mass:
171.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties