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1423915-00-7 | 3-(5-tert-Butyl-isoxazol-3-yl)-3-oxo-propionitrile
CAS No: 1423915-00-7 Catalog No: AG01F91R MDL No:
Product Description
Catalog Number:
AG01F91R
Chemical Name:
3-(5-tert-Butyl-isoxazol-3-yl)-3-oxo-propionitrile
CAS Number:
1423915-00-7
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
IUPAC Name:
3-(5-tert-butyl-1,2-oxazol-3-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C10H12N2O2/c1-10(2,3)9-6-7(12-14-9)8(13)4-5-11/h6H,4H2,1-3H3
InChI Key:
VBUVJPKFDFZQAG-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1noc(c1)C(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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