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1159511-94-0 | 2-(2-methyl-1,3-oxazol-5-yl)acetonitrile
CAS No: 1159511-94-0 Catalog No: AG01BTVQ MDL No:MFCD11501063
Product Description
Catalog Number:
AG01BTVQ
Chemical Name:
2-(2-methyl-1,3-oxazol-5-yl)acetonitrile
CAS Number:
1159511-94-0
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
MDL Number:
MFCD11501063
IUPAC Name:
2-(2-methyl-1,3-oxazol-5-yl)acetonitrile
InChI:
InChI=1S/C6H6N2O/c1-5-8-4-6(9-5)2-3-7/h4H,2H2,1H3
InChI Key:
PHYGYYHJSAGREB-UHFFFAOYSA-N
SMILES:
Cc1ncc(o1)CC#N
Properties
Complexity:
137
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:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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