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2060057-93-2 | 2-(butan-2-yl)-1,3-oxazole-4-carbonitrile
CAS No: 2060057-93-2 Catalog No: AG01BOAT MDL No:MFCD30498897
Product Description
Catalog Number:
AG01BOAT
Chemical Name:
2-(butan-2-yl)-1,3-oxazole-4-carbonitrile
CAS Number:
2060057-93-2
Molecular Formula:
C8H10N2O
Molecular Weight:
150.1778
MDL Number:
MFCD30498897
IUPAC Name:
2-butan-2-yl-1,3-oxazole-4-carbonitrile
InChI:
InChI=1S/C8H10N2O/c1-3-6(2)8-10-7(4-9)5-11-8/h5-6H,3H2,1-2H3
InChI Key:
YWSPZIMHAIIDMW-UHFFFAOYSA-N
SMILES:
CC(c1nc(co1)C#N)CC
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.181g/mol
Monoisotopic Mass:
150.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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