CAS
898793-03-8 Purity
96%
898793-03-8 Purity
96%
Inquiry Basket
Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate
CAS
898793-06-1
Catalog Number
ACM898793061
Category
Other Products
Molecular Weight
248.32
Molecular Formula
C15H20O3
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
ETHYL 5-(3,4-DIMETHYLPHENYL)-5-OXOVALERATE
IUPAC Name
ethyl 5-(3,4-dimethylphenyl)-5-oxopentanoate
Canonical SMILES
CCOC(=O)CCCC(=O)C1=CC(=C(C=C1)C)C
InChI Key
BYCPKHWWZURPMX-UHFFFAOYSA-N
Boiling Point
375.7ºC at 760 mmHg
Flash Point
164.5ºC
Density
1.036g/cm³
Exact Mass
248.14100
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate?
The molecular formula of Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate is C15H20O3.
When was Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate created and last modified?
Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate was created on February 29, 2008, and last modified on December 30, 2023.
What is the IUPAC name of Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate?
The IUPAC name of Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate is ethyl 5-(3,4-dimethylphenyl)-5-oxopentanoate.
What is the InChI of Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate?
The InChI of Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate is InChI=1S/C15H20O3/c1-4-18-15(17)7-5-6-14(16)13-9-8-11(2)12(3)10-13/h8-10H,4-7H2,1-3H3.
What is the InChIKey of Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate?
The InChIKey of Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate is BYCPKHWWZURPMX-UHFFFAOYSA-N.
What is the canonical SMILES of Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate?
The canonical SMILES of Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate is CCOC(=O)CCCC(=O)C1=CC(=C(C=C1)C)C.
What is the molecular weight of Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate?
The molecular weight of Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate is 248.32 g/mol.
How many hydrogen bond acceptor counts does Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate have?
Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate has 3 hydrogen bond acceptor counts.
What is the XLogP3-AA value of Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate?
The XLogP3-AA value of Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate is 2.8.
Is Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate a canonicalized compound?
Yes, Ethyl 5-(3,4-dimethylphenyl)-5-oxovalerate is a canonicalized compound.
Recommended Products
