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1-(1-Oxobutyl)-1H-indole
CAS
93941-01-6
Catalog Number
ACM93941016
Category
Other Products
Molecular Weight
187.238 g/mol
Molecular Formula
C12H13NO
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Specification
Synonyms
1-(1-Oxobutyl)-1H-indole, NSC84178, CID96651, EINECS 300-500-1, 93941-01-6
IUPAC Name
1-indol-1-ylbutan-1-one
InChI Key
AJZZYHUKCOKFPJ-UHFFFAOYSA-N
Boiling Point
292.1ºC at 760mmHg
Flash Point
130.5ºC
Density
1.06g/cm³
Exact Mass
187.10000
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 96651?
The molecular formula is C12H13NO.
What is the molecular weight of the compound?
The molecular weight is 187.24 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-indol-1-ylbutan-1-one.
What is the InChI code of the compound?
The InChI code is InChI=1S/C12H13NO/c1-2-5-12(14)13-9-8-10-6-3-4-7-11(10)13/h3-4,6-9H,2,5H2,1H3.
What is the InChIKey of the compound?
The InChIKey is AJZZYHUKCOKFPJ-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCCC(=O)N1C=CC2=CC=CC=C21.
What is the CAS number of the compound?
The CAS number is 93941-01-6.
How many hydrogen bond acceptors does the compound have?
The compound has 1 hydrogen bond acceptor.
What is the exact mass of the compound?
The exact mass is 187.099714038 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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