CAS
917202-04-1 Purity
>98
917202-04-1 Purity
>98
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1-Ethyl-2-methyl-1H-indole-3-carbonitrile
CAS
917207-79-5
Catalog Number
ACM917207795
Category
Other Products
Molecular Weight
184.237080 [g/mol]
Molecular Formula
C12H12N2
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Specification
Synonyms
1-ETHYL-2-METHYL-1H-INDOLE-3-CARBONITRILE, 917207-79-5, Ambcb4026830, CTK5H0386, MolPort-003-786-257, ZINC11805035, AKOS006329991, AG-H-76712
IUPAC Name
1-ethyl-2-methylindole-3-carbonitrile
Canonical SMILES
CCN1C(=C(C2=CC=CC=C21)C#N)C
InChI Key
GISWIGCXCMKUMW-UHFFFAOYSA-N
Boiling Point
352.4ºC at 760 mmHg
Flash Point
166.9ºC
Density
1.05g/cm³
Exact Mass
184.10000
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C12H12N2.
What is the molecular weight of the compound?
The molecular weight of the compound is 184.24 g/mol.
When was the compound created in PubChem?
The compound was created in PubChem on December 5, 2007.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CCN1C(=C(C2=CC=CC=C21)C#N)C.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 28.7 Ų.
Does the compound have any defined atom stereocenter count?
The compound has 0 defined atom stereocenter counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.4.
How many rotatable bond counts does the compound have?
The compound has 1 rotatable bond count.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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