CAS
898792-85-3 Purity
96%
898792-85-3 Purity
96%
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Ethyl 8-(2,5-dimethylphenyl)-8-oxooctanoate
CAS
898792-88-6
Catalog Number
ACM898792886
Category
Other Products
Molecular Weight
290.4
Molecular Formula
C18H26O3
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Specification
Synonyms
ETHYL 8-(2,5-DIMETHYLPHENYL)-8-OXOOCTANOATE
IUPAC Name
ethyl 8-(2,5-dimethylphenyl)-8-oxooctanoate
Canonical SMILES
CCOC(=O)CCCCCCC(=O)C1=C(C=CC(=C1)C)C
InChI Key
AAMIHWIYLDGMHP-UHFFFAOYSA-N
Boiling Point
403.5ºC at 760 mmHg
Flash Point
174.5ºC
Density
1.004g/cm³
Exact Mass
290.18800
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Ethyl 8-(2,5-dimethylphenyl)-8-oxooctanoate?
The molecular formula is C18H26O3.
What is the molecular weight of Ethyl 8-(2,5-dimethylphenyl)-8-oxooctanoate?
The molecular weight is 290.4 g/mol.
What is the IUPAC name of Ethyl 8-(2,5-dimethylphenyl)-8-oxooctanoate?
The IUPAC name is ethyl 8-(2,5-dimethylphenyl)-8-oxooctanoate.
What is the InChI of Ethyl 8-(2,5-dimethylphenyl)-8-oxooctanoate?
The InChI is InChI=1S/C18H26O3/c1-4-21-18(20)10-8-6-5-7-9-17(19)16-13-14(2)11-12-15(16)3/h11-13H,4-10H2,1-3H3.
What is the InChIKey of Ethyl 8-(2,5-dimethylphenyl)-8-oxooctanoate?
The InChIKey is AAMIHWIYLDGMHP-UHFFFAOYSA-N.
What is the Canonical SMILES of Ethyl 8-(2,5-dimethylphenyl)-8-oxooctanoate?
The Canonical SMILES is CCOC(=O)CCCCCCC(=O)C1=C(C=CC(=C1)C)C.
How many hydrogen bond donor counts are there in Ethyl 8-(2,5-dimethylphenyl)-8-oxooctanoate?
There are 0 hydrogen bond donor counts.
What is the topological polar surface area of Ethyl 8-(2,5-dimethylphenyl)-8-oxooctanoate?
The topological polar surface area is 43.4 ².
Is Ethyl 8-(2,5-dimethylphenyl)-8-oxooctanoate a canonicalized compound?
Yes, it is a canonicalized compound.
What is the complexity value of Ethyl 8-(2,5-dimethylphenyl)-8-oxooctanoate?
The complexity value is 324.
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