CAS
898792-32-0 Purity
96%
898792-32-0 Purity
96%
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8-(2,3-Dimethoxyphenyl)-8-oxooctanoic acid
CAS
898792-35-3
Catalog Number
ACM898792353
Category
Other Products
Molecular Weight
294.34
Molecular Formula
C16H22O5
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Specification
Synonyms
8-(2,3-DIMETHOXYPHENYL)-8-OXOOCTANOIC ACID
IUPAC Name
8-(2,3-dimethoxyphenyl)-8-oxooctanoic acid
Canonical SMILES
COC1=CC=CC(=C1OC)C(=O)CCCCCCC(=O)O
InChI Key
PGUAUMCHZNZORG-UHFFFAOYSA-N
Boiling Point
454.9ºC at 760 mmHg
Flash Point
162.8ºC
Density
1.12g/cm³
Exact Mass
294.14700
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of the compound 8-(2,3-Dimethoxyphenyl)-8-oxooctanoic acid?
The molecular formula of the compound is C16H22O5.
When was the compound created and last modified?
The compound was created on February 29, 2008, and last modified on December 30, 2023.
What is the molecular weight of the compound?
The molecular weight of the compound is 294.34 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 8-(2,3-dimethoxyphenyl)-8-oxooctanoic acid.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is COC1=CC=CC(=C1OC)C(=O)CCCCCCC(=O)O.
How many hydrogen bond donor counts are there in the compound?
There is one hydrogen bond donor count in the compound.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.8.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 72.8 Å2.
How many rotatable bond counts are there in the compound?
There are 10 rotatable bond counts in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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