1-Naphthalenecarbonitrile, 2-methoxy-

1-Naphthalenecarbonitrile, 2-methoxy-
Compound Structure:
Synonyms: 1-Naphthalenecarbonitrile, 2-methoxy-, N-oxide;SCHEMBL652710;DTXSID20459056
Compound ID: NMPC-103
PubChem ID:

11217862
Molecular Formula: C12H9NO2
Canonical SMILES: COC1=C(C2=CC=CC=C2C=C1)C#[N+][O-]
InChIKey: MNQCQLSQQRQAGU-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

199.20 g/mol

XLogP3-AA

2.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

2

Exact Mass

199.063328530 g/mol

Monoisotopic Mass

199.063328530 g/mol

Topological Polar Surface Area

39.9Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

278

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: Tetrapleura tetraptera
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