Isoxazole, 3-methyl-5-(2-pyrrolidinyl)-


Chemical Name: Isoxazole, 3-methyl-5-(2-pyrrolidinyl)-
CAS Number: 851434-82-7
Product Number: AG00G4KR(AGN-PC-0044DR)
Synonyms:
MDL No:
Molecular Formula: C8H12N2O
Molecular Weight: 152.1937

Identification/Properties


Computed Properties
Molecular Weight:
152.197g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
152.095g/mol
Monoisotopic Mass:
152.095g/mol
Topological Polar Surface Area:
38.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
140
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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