CAS
898792-38-6 Purity
96%
898792-38-6 Purity
96%
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7-(2,5-Dimethoxyphenyl)-7-oxoheptanoic acid
CAS
898792-41-1
Catalog Number
ACM898792411
Category
Other Products
Molecular Weight
280.32
Molecular Formula
C15H20O5
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Specification
Synonyms
7-(2,5-DIMETHOXYPHENYL)-7-OXOHEPTANOIC ACID
IUPAC Name
7-(2,5-dimethoxyphenyl)-7-oxoheptanoic acid
SMILES
COC1=CC(=C(C=C1)OC)C(=O)CCCCCC(=O)O
InChI Key
FRQRLTBKTLBNIE-UHFFFAOYSA-N
Boiling Point
462.5ºC at 760 mmHg
Flash Point
169.5ºC
Density
1.138g/cm³
Exact Mass
280.13100
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 7-(2,5-Dimethoxyphenyl)-7-oxoheptanoic acid?
The molecular formula is C15H20O5.
When was this compound created and modified in PubChem?
It was created on 2008-02-29 and modified on 2023-12-30.
What is the IUPAC Name of this compound?
The IUPAC Name is 7-(2,5-dimethoxyphenyl)-7-oxoheptanoic acid.
What is the InChI of 7-(2,5-Dimethoxyphenyl)-7-oxoheptanoic acid?
The InChI is InChI=1S/C15H20O5/c1-19-11-8-9-14(20-2)12(10-11)13(16)6-4-3-5-7-15(17)18.
What is the InChIKey of this compound?
The InChIKey is FRQRLTBKTLBNIE-UHFFFAOYSA-N.
What is the Canonical SMILES representation of 7-(2,5-Dimethoxyphenyl)-7-oxoheptanoic acid?
The Canonical SMILES is COC1=CC(=C(C=C1)OC)C(=O)CCCCCC(=O)O.
What is the molecular weight of this compound?
The molecular weight is 280.32 g/mol.
How many hydrogen bond donor counts does 7-(2,5-Dimethoxyphenyl)-7-oxoheptanoic acid have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of this compound?
The topological polar surface area is 72.8 Ų.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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