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70187-32-5 | 4-Methylmorpholine N-Oxide Monohydrate
CAS No: 70187-32-5 Catalog No: AG0036S5 MDL No:MFCD00149388
Product Description
Catalog Number:
AG0036S5
Chemical Name:
4-Methylmorpholine N-Oxide Monohydrate
CAS Number:
70187-32-5
Molecular Formula:
C5H13NO3
Molecular Weight:
135.1616
MDL Number:
MFCD00149388
IUPAC Name:
4-methyl-4-oxidomorpholin-4-ium;hydrate
InChI:
InChI=1S/C5H11NO2.H2O/c1-6(7)2-4-8-5-3-6;/h2-5H2,1H3;1H2
InChI Key:
WAZPLXZGZWWXDQ-UHFFFAOYSA-N
SMILES:
[O-][N+]1(C)CCOCC1.O
UNII:
087WU2FTQ5
Properties
Complexity:
78.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.09g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.163g/mol
Monoisotopic Mass:
135.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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