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67823-26-1 | 3-Methylisoxazol-5(4H)-one morpholine salt
CAS No: 67823-26-1 Catalog No: AG006IWT MDL No:MFCD00042999
Product Description
Catalog Number:
AG006IWT
Chemical Name:
3-Methylisoxazol-5(4H)-one morpholine salt
CAS Number:
67823-26-1
Molecular Formula:
C8H14N2O3
Molecular Weight:
186.2084
MDL Number:
MFCD00042999
IUPAC Name:
3-methyl-4H-1,2-oxazol-5-one;morpholine
InChI:
InChI=1S/C4H5NO2.C4H9NO/c1-3-2-4(6)7-5-3;1-3-6-4-2-5-1/h2H2,1H3;5H,1-4H2
InChI Key:
UNTXTXCRCQLVPT-UHFFFAOYSA-N
SMILES:
C1CNCCO1.Cc1noc(c1)O
EC Number:
267-216-7
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.211g/mol
Monoisotopic Mass:
186.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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