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19754-80-4 | 3-Isoxazolamine, 5-ethyl-
CAS No: 19754-80-4 Catalog No: AG002AVU MDL No:MFCD00955701
Product Description
Catalog Number:
AG002AVU
Chemical Name:
3-Isoxazolamine, 5-ethyl-
CAS Number:
19754-80-4
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD00955701
IUPAC Name:
5-ethyl-1,2-oxazol-3-amine
InChI:
InChI=1S/C5H8N2O/c1-2-4-3-5(6)7-8-4/h3H,2H2,1H3,(H2,6,7)
InChI Key:
INRPZCXQEPGTQB-UHFFFAOYSA-N
SMILES:
CCc1cc(no1)N
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.064g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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