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112960-56-2 | 1,2,4-Oxadiazole-5-methanol,3-methyl-
CAS No: 112960-56-2 Catalog No: AG0038BC MDL No:MFCD08236813
Product Description
Catalog Number:
AG0038BC
Chemical Name:
1,2,4-Oxadiazole-5-methanol,3-methyl-
CAS Number:
112960-56-2
Molecular Formula:
C4H6N2O2
Molecular Weight:
114.1026
MDL Number:
MFCD08236813
IUPAC Name:
(3-methyl-1,2,4-oxadiazol-5-yl)methanol
InChI:
InChI=1S/C4H6N2O2/c1-3-5-4(2-7)8-6-3/h7H,2H2,1H3
InChI Key:
OQKJMIGPYYWVKU-UHFFFAOYSA-N
SMILES:
Cc1nc(on1)CO
Properties
Complexity:
78.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.104g/mol
Monoisotopic Mass:
114.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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