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82123-42-0 | 4-Oxazolecarbonitrile, 2,5-dimethyl-
CAS No: 82123-42-0 Catalog No: AG004W6Q MDL No:
Product Description
Catalog Number:
AG004W6Q
Chemical Name:
4-Oxazolecarbonitrile, 2,5-dimethyl-
CAS Number:
82123-42-0
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
IUPAC Name:
2,5-dimethyl-1,3-oxazole-4-carbonitrile
InChI:
InChI=1S/C6H6N2O/c1-4-6(3-7)8-5(2)9-4/h1-2H3
InChI Key:
UHRTYUGYLBQVFQ-UHFFFAOYSA-N
SMILES:
N#Cc1nc(oc1C)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.127g/mol
Monoisotopic Mass:
122.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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