CAS
898792-66-0 Purity
96%
898792-66-0 Purity
96%
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Ethyl 5-(3-bromophenyl)-5-oxovalerate
CAS
898792-69-3
Catalog Number
ACM898792693
Category
Other Products
Molecular Weight
299.16
Molecular Formula
C13H15BrO3
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Specification
Synonyms
ETHYL 5-(3-BROMOPHENYL)-5-OXOVALERATE
IUPAC Name
ethyl 5-(3-bromophenyl)-5-oxopentanoate
Canonical SMILES
CCOC(=O)CCCC(=O)C1=CC(=CC=C1)Br
InChI Key
FLIAHYCARFMIMB-UHFFFAOYSA-N
Boiling Point
388.8ºC at 760 mmHg
Flash Point
189ºC
Density
1.34g/cm³
Exact Mass
298.02000
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of ethyl 5-(3-bromophenyl)-5-oxovalerate?
The molecular formula is C13H15BrO3.
When was the ethyl 5-(3-bromophenyl)-5-oxovalerate created and modified in PubChem?
It was created on 2008-02-29 and modified on 2023-12-30.
What is the IUPAC name of ethyl 5-(3-bromophenyl)-5-oxovalerate?
The IUPAC name is ethyl 5-(3-bromophenyl)-5-oxopentanoate.
What is the InChI of ethyl 5-(3-bromophenyl)-5-oxovalerate?
The InChI is InChI=1S/C13H15BrO3/c1-2-17-13(16)8-4-7-12(15)10-5-3-6-11(14)9-10/h3,5-6,9H,2,4,7-8H2,1H3.
What is the InChIKey of ethyl 5-(3-bromophenyl)-5-oxovalerate?
The InChIKey is FLIAHYCARFMIMB-UHFFFAOYSA-N.
What is the Canonical SMILES of ethyl 5-(3-bromophenyl)-5-oxovalerate?
The Canonical SMILES is CCOC(=O)CCCC(=O)C1=CC(=CC=C1)Br.
What is the molecular weight of ethyl 5-(3-bromophenyl)-5-oxovalerate?
The molecular weight is 299.16 g/mol.
How many hydrogen bond donor counts does ethyl 5-(3-bromophenyl)-5-oxovalerate have?
It has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of ethyl 5-(3-bromophenyl)-5-oxovalerate?
The XLogP3-AA value is 2.8.
Is ethyl 5-(3-bromophenyl)-5-oxovalerate a canonicalized compound in PubChem?
Yes, it is a canonicalized compound in PubChem.
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