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86260-83-5 | 5-Isoxazolecarbonitrile, 4,5-dihydro-3-methyl-
CAS No: 86260-83-5 Catalog No: AG004MTX MDL No:
Product Description
Catalog Number:
AG004MTX
Chemical Name:
5-Isoxazolecarbonitrile, 4,5-dihydro-3-methyl-
CAS Number:
86260-83-5
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
IUPAC Name:
3-methyl-4,5-dihydro-1,2-oxazole-5-carbonitrile
InChI:
InChI=1S/C5H6N2O/c1-4-2-5(3-6)8-7-4/h5H,2H2,1H3
InChI Key:
TYIDIIXKMCEOHC-UHFFFAOYSA-N
SMILES:
CC1=NOC(C1)C#N
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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