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25977-23-5 | 1,2,4-Oxadiazole-3-methanol, 5-methyl-
CAS No: 25977-23-5 Catalog No: AG002R98 MDL No:MFCD08059801
Product Description
Catalog Number:
AG002R98
Chemical Name:
1,2,4-Oxadiazole-3-methanol, 5-methyl-
CAS Number:
25977-23-5
Molecular Formula:
C4H6N2O2
Molecular Weight:
114.1026
MDL Number:
MFCD08059801
IUPAC Name:
(5-methyl-1,2,4-oxadiazol-3-yl)methanol
InChI:
InChI=1S/C4H6N2O2/c1-3-5-4(2-7)6-8-3/h7H,2H2,1H3
InChI Key:
QAMJOTCGJONJDI-UHFFFAOYSA-N
SMILES:
OCc1noc(n1)C
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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