CAS
951238-13-4 Purity
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951238-13-4 Purity
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3-Benzylidene-2-oxo-cyclopentanecarboxylic acid ethyl ester
CAS
95127-15-4
Catalog Number
ACM95127154
Category
Other Products
Molecular Weight
244.28574
Molecular Formula
C15H16O3
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Specification
Synonyms
3-Benzylidene-2-oxo-cyclopentanecarboxylic acid ethyl ester
IUPAC Name
ethyl (3E)-3-benzylidene-2-oxocyclopentane-1-carboxylate
SMILES
CCOC(=O)C1CCC(=CC2=CC=CC=C2)C1=O
InChI Key
KHALZHFCWRDVCU-ZRDIBKRKSA-N
Boiling Point
384ºC at 760mmHg
Flash Point
170.1ºC
Density
1.179g/cm³
Exact Mass
244.11000
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 3-Benzylidene-2-oxo-cyclopentanecarboxylic acid ethyl ester?
The molecular formula is C15H16O3.
What are the synonyms of 3-Benzylidene-2-oxo-cyclopentanecarboxylic acid ethyl ester?
The synonyms are 3-BENZYLIDENE-2-OXO-CYCLOPENTANECARBOXYLIC ACID ETHYL ESTER and HMS663F19.
What is the molecular weight of 3-Benzylidene-2-oxo-cyclopentanecarboxylic acid ethyl ester?
The molecular weight is 244.28 g/mol.
When was 3-Benzylidene-2-oxo-cyclopentanecarboxylic acid ethyl ester created?
It was created on September 15, 2005.
When was 3-Benzylidene-2-oxo-cyclopentanecarboxylic acid ethyl ester last modified?
It was last modified on December 30, 2023.
What is the IUPAC name of 3-Benzylidene-2-oxo-cyclopentanecarboxylic acid ethyl ester?
The IUPAC name is ethyl (3E)-3-benzylidene-2-oxocyclopentane-1-carboxylate.
What is the InChI of 3-Benzylidene-2-oxo-cyclopentanecarboxylic acid ethyl ester?
The InChI is InChI=1S/C15H16O3/c1-2-18-15(17)13-9-8-12(14(13)16)10-11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3/b12-10+.
What is the InChIKey of 3-Benzylidene-2-oxo-cyclopentanecarboxylic acid ethyl ester?
The InChIKey is KHALZHFCWRDVCU-ZRDIBKRKSA-N.
What is the canonical SMILES of 3-Benzylidene-2-oxo-cyclopentanecarboxylic acid ethyl ester?
The canonical SMILES is CCOC(=O)C1CCC(=CC2=CC=CC=C2)C1=O.
What is the molecular weight of 3-Benzylidene-2-oxo-cyclopentanecarboxylic acid ethyl ester calculated by PubChem?
The molecular weight calculated by PubChem is 244.28 g/mol.
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