CAS
898792-76-2 Purity
96%
898792-76-2 Purity
96%
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Ethyl 5-(2,5-dimethylphenyl)-5-oxovalerate
CAS
898792-79-5
Catalog Number
ACM898792795
Category
Other Products
Molecular Weight
248.32
Molecular Formula
C15H20O3
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Specification
Synonyms
ETHYL 5-(2,5-DIMETHYLPHENYL)-5-OXOVALERATE
IUPAC Name
ethyl 5-(2,5-dimethylphenyl)-5-oxopentanoate
Canonical SMILES
CCOC(=O)CCCC(=O)C1=C(C=CC(=C1)C)C
InChI Key
CZYWXUGSOHJFKT-UHFFFAOYSA-N
Boiling Point
373.3ºC at 760 mmHg
Flash Point
163.3ºC
Density
1.036g/cm³
Exact Mass
248.14100
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Ethyl 5-(2,5-dimethylphenyl)-5-oxovalerate?
The molecular formula is C15H20O3.
When was Ethyl 5-(2,5-dimethylphenyl)-5-oxovalerate created and modified?
It was created on 2008-02-29 and modified on 2023-12-30.
What is the IUPAC name of Ethyl 5-(2,5-dimethylphenyl)-5-oxovalerate?
The IUPAC name is ethyl 5-(2,5-dimethylphenyl)-5-oxopentanoate.
What is the InChI of Ethyl 5-(2,5-dimethylphenyl)-5-oxovalerate?
The InChI is InChI=1S/C15H20O3/c1-4-18-15(17)7-5-6-14(16)13-10-11(2)8-9-12(13)3/h8-10H,4-7H2,1-3H3.
What is the InChIKey of Ethyl 5-(2,5-dimethylphenyl)-5-oxovalerate?
The InChIKey is CZYWXUGSOHJFKT-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does Ethyl 5-(2,5-dimethylphenyl)-5-oxovalerate have?
It has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of Ethyl 5-(2,5-dimethylphenyl)-5-oxovalerate?
The topological polar surface area is 43.4 2.
How many rotatable bond counts does Ethyl 5-(2,5-dimethylphenyl)-5-oxovalerate have?
It has 7 rotatable bond counts.
Is Ethyl 5-(2,5-dimethylphenyl)-5-oxovalerate a canonicalized compound?
Yes, it is a canonicalized compound.
What is the molecular weight of Ethyl 5-(2,5-dimethylphenyl)-5-oxovalerate?
The molecular weight is 248.32 g/mol.
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