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30750-23-3 | 2-Quinazolineacetonitrile, 3,4-dihydro-4-oxo-
CAS No: 30750-23-3 Catalog No: AG00315B MDL No:MFCD00481615
Product Description
Catalog Number:
AG00315B
Chemical Name:
2-Quinazolineacetonitrile, 3,4-dihydro-4-oxo-
CAS Number:
30750-23-3
Molecular Formula:
C10H7N3O
Molecular Weight:
185.1821
MDL Number:
MFCD00481615
IUPAC Name:
2-(4-oxo-3H-quinazolin-2-yl)acetonitrile
InChI:
InChI=1S/C10H7N3O/c11-6-5-9-12-8-4-2-1-3-7(8)10(14)13-9/h1-4H,5H2,(H,12,13,14)
InChI Key:
VKPPRAWHRPCNBO-UHFFFAOYSA-N
SMILES:
N#CCc1nc2ccccc2c(=O)[nH]1
EC Number:
608-522-6
NSC Number:
657591
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.186g/mol
Monoisotopic Mass:
185.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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