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260555-29-1 | 5-methyl-4-isoxazolecarbonitrile
CAS No: 260555-29-1 Catalog No: AG00J2WA MDL No:MFCD22412351
Product Description
Catalog Number:
AG00J2WA
Chemical Name:
5-methyl-4-isoxazolecarbonitrile
CAS Number:
260555-29-1
Molecular Formula:
C5H4N2O
Molecular Weight:
108.0981
MDL Number:
MFCD22412351
IUPAC Name:
5-methyl-1,2-oxazole-4-carbonitrile
InChI:
InChI=1S/C5H4N2O/c1-4-5(2-6)3-7-8-4/h3H,1H3
InChI Key:
RJPKYXYLTAIWCT-UHFFFAOYSA-N
SMILES:
Cc1oncc1C#N
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.1g/mol
Monoisotopic Mass:
108.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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