CAS
898792-82-0 Purity
96%
898792-82-0 Purity
96%
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Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate
CAS
898792-85-3
Catalog Number
ACM898792853
Category
Other Products
Molecular Weight
276.37903
Molecular Formula
C17H24O3
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Specification
Synonyms
ETHYL 7-(2,5-DIMETHYLPHENYL)-7-OXOHEPTANOATE, 898792-85-3, CTK5G6925, AKOS016023131, AG-H-67238, KB-202354
IUPAC Name
ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate
SMILES
CCOC(=O)CCCCCC(=O)C1=C(C=CC(=C1)C)C
InChI Key
LAZITRPWOFIMMI-UHFFFAOYSA-N
Boiling Point
389.5ºC at 760 mmHg
Flash Point
168.9ºC
Density
1.014g/cm³
Exact Mass
276.17300
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate?
The molecular formula of Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate is C17H24O3.
What is the molecular weight of Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate?
The molecular weight of Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate is 276.4 g/mol.
What is the IUPAC name of Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate?
The IUPAC name of Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate is ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate.
What is the InChI of Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate?
The InChI of Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate is InChI=1S/C17H24O3/c1-4-20-17(19)9-7-5-6-8-16(18)15-12-13(2)10-11-14(15)3/h10-12H,4-9H2,1-3H3.
What is the InChIKey of Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate?
The InChIKey of Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate is LAZITRPWOFIMMI-UHFFFAOYSA-N.
What is the Canonical SMILES of Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate?
The Canonical SMILES of Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate is CCOC(=O)CCCCCC(=O)C1=C(C=CC(=C1)C)C.
What is the CAS number of Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate?
The CAS number of Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate is 898792-85-3.
What is the XLogP3-AA value of Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate?
The XLogP3-AA value of Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate is 3.7.
How many hydrogen bond acceptor count does Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate have?
Ethyl 7-(2,5-dimethylphenyl)-7-oxoheptanoate has 3 hydrogen bond acceptor count.
Is the compound Is Canonicalized?
Yes, the compound is Canonicalized.
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