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157763-81-0 | 2-Benzoxazoleacetonitrile, α,α-dimethyl-
CAS No: 157763-81-0 Catalog No: AG001POC MDL No:MFCD08166396
Product Description
Catalog Number:
AG001POC
Chemical Name:
2-Benzoxazoleacetonitrile, α,α-dimethyl-
CAS Number:
157763-81-0
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD08166396
IUPAC Name:
2-(1,3-benzoxazol-2-yl)-2-methylpropanenitrile
InChI:
InChI=1S/C11H10N2O/c1-11(2,7-12)10-13-8-5-3-4-6-9(8)14-10/h3-6H,1-2H3
InChI Key:
VNMKWZBURQHRLC-UHFFFAOYSA-N
SMILES:
N#CC(c1nc2c(o1)cccc2)(C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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