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1201794-84-4 | 3-Isoxazolecarbonitrile, 5-ethoxy-4,5-dihydro-
CAS No: 1201794-84-4 Catalog No: AG000QHJ MDL No:
Product Description
Catalog Number:
AG000QHJ
Chemical Name:
3-Isoxazolecarbonitrile, 5-ethoxy-4,5-dihydro-
CAS Number:
1201794-84-4
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
IUPAC Name:
5-ethoxy-4,5-dihydro-1,2-oxazole-3-carbonitrile
InChI:
InChI=1S/C6H8N2O2/c1-2-9-6-3-5(4-7)8-10-6/h6H,2-3H2,1H3
InChI Key:
AZYDJKDNXTVUFL-UHFFFAOYSA-N
SMILES:
CCOC1CC(=NO1)C#N
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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