CAS
898792-50-2 Purity
96%
898792-50-2 Purity
96%
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8-(2,6-Dimethoxyphenyl)-8-oxooctanoic acid
CAS
898792-53-5
Catalog Number
ACM898792535
Category
Other Products
Molecular Weight
294.34
Molecular Formula
C16H22O5
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Specification
Synonyms
8-(2,6-DIMETHOXYPHENYL)-8-OXOOCTANOIC ACID
IUPAC Name
8-(2,6-dimethoxyphenyl)-8-oxooctanoic acid
Canonical SMILES
COC1=C(C(=CC=C1)OC)C(=O)CCCCCCC(=O)O
InChI Key
FMKLIDRCRCELHL-UHFFFAOYSA-N
Boiling Point
472.8ºC at 760 mmHg
Flash Point
170.4ºC
Density
1.12g/cm³
Exact Mass
294.14700
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 8-(2,6-Dimethoxyphenyl)-8-oxooctanoic acid?
The molecular formula is C16H22O5.
When was the compound created and modified according to PubChem?
The compound was created on 2008-02-29 and modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is 8-(2,6-dimethoxyphenyl)-8-oxooctanoic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C16H22O5/c1-20-13-9-7-10-14(21-2)16(13)12(17)8-5-3-4-6-11-15(18)19/h7,9-10H,3-6,8,11H2,1-2H3,(H,18,19).
What is the InChIKey of the compound?
The InChIKey is FMKLIDRCRCELHL-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is COC1=C(C(=CC=C1)OC)C(=O)CCCCCCC(=O)O.
What is the molecular weight of the compound?
The molecular weight is 294.34 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.8.
How many hydrogen bond donor counts are in the compound?
There is 1 hydrogen bond donor count.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
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