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809533-78-6 | 2-Oxazoleacetonitrile
CAS No: 809533-78-6 Catalog No: AG0050J6 MDL No:MFCD08234480
Product Description
Catalog Number:
AG0050J6
Chemical Name:
2-Oxazoleacetonitrile
CAS Number:
809533-78-6
Molecular Formula:
C5H4N2O
Molecular Weight:
108.0981
MDL Number:
MFCD08234480
IUPAC Name:
2-(1,3-oxazol-2-yl)acetonitrile
InChI:
InChI=1S/C5H4N2O/c6-2-1-5-7-3-4-8-5/h3-4H,1H2
InChI Key:
GBVNLARDRLKRNJ-UHFFFAOYSA-N
SMILES:
N#CCc1ncco1
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.1g/mol
Monoisotopic Mass:
108.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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