CAS
898792-30-8 Purity
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898792-30-8 Purity
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7-(2,3-Dimethoxyphenyl)-7-oxoheptanoic acid
CAS
898792-33-1
Catalog Number
ACM898792331
Category
Other Products
Molecular Weight
280.32
Molecular Formula
C15H20O5
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Specification
Synonyms
7-(2,3-DIMETHOXYPHENYL)-7-OXOHEPTANOIC ACID
IUPAC Name
7-(2,3-dimethoxyphenyl)-7-oxoheptanoic acid
Canonical SMILES
COC1=CC=CC(=C1OC)C(=O)CCCCCC(=O)O
InChI Key
BSBDJZCVPBBRNW-UHFFFAOYSA-N
Boiling Point
443.9ºC at 760 mmHg
Flash Point
161.5ºC
Density
1.138g/cm³
Exact Mass
280.13100
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 7-(2,3-Dimethoxyphenyl)-7-oxoheptanoic acid?
The molecular formula is C15H20O5.
When was 7-(2,3-Dimethoxyphenyl)-7-oxoheptanoic acid created in PubChem?
It was created on February 29, 2008.
What is the InChI key for 7-(2,3-Dimethoxyphenyl)-7-oxoheptanoic acid?
The InChI key is BSBDJZCVPBBRNW-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 7-(2,3-Dimethoxyphenyl)-7-oxoheptanoic acid have?
It has 1 hydrogen bond donor count.
What is the exact mass of 7-(2,3-Dimethoxyphenyl)-7-oxoheptanoic acid?
The exact mass is 280.13107373 g/mol.
How many heavy atoms are present in the structure of 7-(2,3-Dimethoxyphenyl)-7-oxoheptanoic acid?
There are 20 heavy atoms.
Is 7-(2,3-Dimethoxyphenyl)-7-oxoheptanoic acid a canonicalized compound?
Yes, it is canonicalized.
What is the topological polar surface area of 7-(2,3-Dimethoxyphenyl)-7-oxoheptanoic acid?
The topological polar surface area is 72.8 Ų.
Does 7-(2,3-Dimethoxyphenyl)-7-oxoheptanoic acid have any defined atom stereocenter count?
No, it does not have any defined atom stereocenter count.
How many rotatable bonds are present in the structure of 7-(2,3-Dimethoxyphenyl)-7-oxoheptanoic acid?
There are 9 rotatable bonds.
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