CAS
898792-46-6 Purity
96%
898792-46-6 Purity
96%
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6-(2,6-Dimethoxyphenyl)-6-oxohexanoic acid
CAS
898792-49-9
Catalog Number
ACM898792499
Category
Other Products
Molecular Weight
266.29
Molecular Formula
C14H18O5
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Specification
Synonyms
6-(2,6-DIMETHOXYPHENYL)-6-OXOHEXANOIC ACID
IUPAC Name
6-(2,6-dimethoxyphenyl)-6-oxohexanoic acid
Canonical SMILES
COC1=C(C(=CC=C1)OC)C(=O)CCCCC(=O)O
InChI Key
UBGVKIKPSXLBFI-UHFFFAOYSA-N
Boiling Point
453ºC at 760 mmHg
Flash Point
168.9ºC
Density
1.159g/cm³
Exact Mass
266.11500
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 24727089?
The molecular formula is C14H18O5.
What is the molecular weight of the compound?
The molecular weight is 266.29 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 6-(2,6-dimethoxyphenyl)-6-oxohexanoic acid.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation is COC1=C(C(=CC=C1)OC)C(=O)CCCCC(=O)O.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.7.
What is the Topological Polar Surface Area of the compound?
The Topological Polar Surface Area is 72.8 Ų.
How many rotatable bond counts does the compound have?
The compound has 8 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the InChIKey of the compound?
The InChIKey is UBGVKIKPSXLBFI-UHFFFAOYSA-N.
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