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344277-60-7 | 4-Isoxazolecarbonitrile,3-acetyl-
CAS No: 344277-60-7 Catalog No: AG00BXZN MDL No:MFCD00664801
Product Description
Catalog Number:
AG00BXZN
Chemical Name:
4-Isoxazolecarbonitrile,3-acetyl-
CAS Number:
344277-60-7
Molecular Formula:
C6H4N2O2
Molecular Weight:
136.1082
MDL Number:
MFCD00664801
IUPAC Name:
3-acetyl-1,2-oxazole-4-carbonitrile
InChI:
InChI=1S/C6H4N2O2/c1-4(9)6-5(2-7)3-10-8-6/h3H,1H3
InChI Key:
APIDJCWCSCIPSJ-UHFFFAOYSA-N
SMILES:
N#Cc1conc1C(=O)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.11g/mol
Monoisotopic Mass:
136.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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