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144537-11-1 | 3-Isoxazolecarboxamide, 5-ethoxy-4,5-dihydro-N-methyl-
CAS No: 144537-11-1 Catalog No: AG001JPY MDL No:
Product Description
Catalog Number:
AG001JPY
Chemical Name:
3-Isoxazolecarboxamide, 5-ethoxy-4,5-dihydro-N-methyl-
CAS Number:
144537-11-1
Molecular Formula:
C7H12N2O3
Molecular Weight:
172.1818
IUPAC Name:
5-ethoxy-N-methyl-4,5-dihydro-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C7H12N2O3/c1-3-11-6-4-5(9-12-6)7(10)8-2/h6H,3-4H2,1-2H3,(H,8,10)
InChI Key:
WPCPNZCCIQLPAR-UHFFFAOYSA-N
SMILES:
CCOC1ON=C(C1)C(=O)NC
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.184g/mol
Monoisotopic Mass:
172.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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