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148014-06-6 | 3-Isoxazolecarbonitrile,5-(1,1-dimethylethyl)-(9CI)
CAS No: 148014-06-6 Catalog No: AG00B426 MDL No:
Product Description
Catalog Number:
AG00B426
Chemical Name:
3-Isoxazolecarbonitrile,5-(1,1-dimethylethyl)-(9CI)
CAS Number:
148014-06-6
IUPAC Name:
5-tert-butyl-1,2-oxazole-3-carbonitrile
InChI:
InChI=1S/C8H10N2O/c1-8(2,3)7-4-6(5-9)10-11-7/h4H,1-3H3
InChI Key:
OCCLOARPNRWLBL-UHFFFAOYSA-N
Properties
Complexity:
186
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:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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