CAS
9039-61-6 Purity
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9039-61-6 Purity
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2-Naphthalenecarbonitrile,5,6,7,8-tetrahydro-5-oxo-
CAS
90401-84-6
Catalog Number
ACM90401846
Category
Other Products
Molecular Weight
171.2
Molecular Formula
C11H9NO
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Specification
Synonyms
6-CYANO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE;6-CYANO-1-TETRALONE
IUPAC Name
5-oxo-7,8-dihydro-6H-naphthalene-2-carbonitrile
Canonical SMILES
C1CC2=C(C=CC(=C2)C#N)C(=O)C1
InChI Key
FGWRKZJKRYCDOF-UHFFFAOYSA-N
Boiling Point
331.1ºC at 760 mmHg
Flash Point
154ºC
Density
1.19 g/cm³
Exact Mass
171.06800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Naphthalenecarbonitrile?
The molecular formula is C11H9NO.
What is the molecular weight of 2-Naphthalenecarbonitrile?
The molecular weight is 171.19 g/mol.
What are some synonyms for 2-Naphthalenecarbonitrile?
Some synonyms include 6-CYANO-1-TETRALONE and 5-oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
When was 2-Naphthalenecarbonitrile first created and last modified?
It was first created on 2006-10-26 and last modified on 2023-12-30.
What is the IUPAC name of 2-Naphthalenecarbonitrile?
The IUPAC name is 5-oxo-7,8-dihydro-6H-naphthalene-2-carbonitrile.
What is the InChIKey of 2-Naphthalenecarbonitrile?
The InChIKey is FGWRKZJKRYCDOF-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 2-Naphthalenecarbonitrile have?
It has 2 hydrogen bond acceptors.
What is the topological polar surface area of 2-Naphthalenecarbonitrile?
The topological polar surface area is 40.9 Ų.
How many heavy atoms are present in the structure of 2-Naphthalenecarbonitrile?
There are 13 heavy atoms.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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