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118801-89-1 | 7H-Oxazolo[3,2-a]pyrimidine-6-carbonitrile,2,3-dihydro-7-oxo-
CAS No: 118801-89-1 Catalog No: AG0080WP MDL No:MFCD00171946
Product Description
Catalog Number:
AG0080WP
Chemical Name:
7H-Oxazolo[3,2-a]pyrimidine-6-carbonitrile,2,3-dihydro-7-oxo-
CAS Number:
118801-89-1
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD00171946
IUPAC Name:
7-oxo-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidine-6-carbonitrile
InChI:
InChI=1S/C7H5N3O2/c8-3-5-4-10-1-2-12-7(10)9-6(5)11/h4H,1-2H2
InChI Key:
KYIHRAMFHZATSZ-UHFFFAOYSA-N
SMILES:
C1COc2n1cc(C#N)c(=O)n2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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