CAS
898792-54-6 Purity
96%
898792-54-6 Purity
96%
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8-(3,5-Dimethoxyphenyl)-8-oxooctanoic acid
CAS
898792-57-9
Catalog Number
ACM898792579
Category
Other Products
Molecular Weight
294.34
Molecular Formula
C16H22O5
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Specification
Synonyms
8-(3,5-DIMETHOXYPHENYL)-8-OXOOCTANOIC ACID
IUPAC Name
8-(3,5-dimethoxyphenyl)-8-oxooctanoic acid
Canonical SMILES
COC1=CC(=CC(=C1)C(=O)CCCCCCC(=O)O)OC
InChI Key
PGOVBLIIRCBJKE-UHFFFAOYSA-N
Boiling Point
469.5ºC at 760 mmHg
Flash Point
169.1ºC
Density
1.12g/cm³
Exact Mass
294.14700
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of the compound mentioned in the reference?
The molecular formula is C16H22O5.
When was the compound created and last modified according to the reference?
The compound was created on 2008-02-29 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is 8-(3,5-dimethoxyphenyl)-8-oxooctanoic acid.
What is the InChIKey of the compound?
The InChIKey is PGOVBLIIRCBJKE-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 72.8 Ų.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
How many rotatable bond counts are there in the compound?
There are 10 rotatable bond counts.
What is the complexity of the compound?
The complexity is 317.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
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