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116422-98-1 | 4-Isoxazolepropanenitrile, 3,5-dimethyl-
CAS No: 116422-98-1 Catalog No: AG000CGG MDL No:
Product Description
Catalog Number:
AG000CGG
Chemical Name:
4-Isoxazolepropanenitrile, 3,5-dimethyl-
CAS Number:
116422-98-1
Molecular Formula:
C8H10N2O
Molecular Weight:
150.1778
IUPAC Name:
3-(3,5-dimethyl-1,2-oxazol-4-yl)propanenitrile
InChI:
InChI=1S/C8H10N2O/c1-6-8(4-3-5-9)7(2)11-10-6/h3-4H2,1-2H3
InChI Key:
HWJIQXZPZGZUNU-UHFFFAOYSA-N
SMILES:
N#CCCc1c(C)noc1C
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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