2-Methyl[1,3,4]oxadiazole

2-Methyl[1,3,4]oxadiazole
Compound Structure:
Synonyms: 2-methyl-1,3,4-oxadiazole;3451-51-2;2-Methyl-[1,3,4]oxadiazole;MFCD16877047;1,3,4-Oxadiazole, 2-methyl-;2-Methyl[1,3,4]oxadiazole;methyl-1,3,4-oxadiazole;2-Methyl-[1,3,4]-oxadiazole
Compound ID: NMPC-258
PubChem ID:

558447
Molecular Formula: C3H4N2O
Canonical SMILES: CC1=NN=CO1
InChIKey: ZMSIFDIKIXVLDF-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

• H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

84.08 g/mol

XLogP3-AA

0.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

0

Exact Mass

84.032362755 g/mol

Monoisotopic Mass

84.032362755 g/mol

Topological Polar Surface Area

38.9Ų

Heavy Atom Count

6

Formal Charge

0

Complexity

48.1

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Musa paradisiaca
Persea americana
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