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Structure

8-(2,5-Dimethoxyphenyl)-8-oxooctanoic acid

CAS
898792-43-3
Catalog Number
ACM898792433
Category
Other Products
Molecular Weight
294.34
Molecular Formula
C16H22O5

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Specification

Synonyms
8-(2,5-DIMETHOXYPHENYL)-8-OXOOCTANOIC ACID
IUPAC Name
8-(2,5-dimethoxyphenyl)-8-oxooctanoic acid
Canonical SMILES
COC1=CC(=C(C=C1)OC)C(=O)CCCCCCC(=O)O
InChI Key
PUJKJHXTIIZWHZ-UHFFFAOYSA-N
Boiling Point
472.6ºC 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-(2,5-Dimethoxyphenyl)-8-oxooctanoic acid?

The molecular formula is C16H22O5.

When was the compound created and last modified according to the reference?

It 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-(2,5-dimethoxyphenyl)-8-oxooctanoic acid.

What is the InChIKey of the compound?

The InChIKey is PUJKJHXTIIZWHZ-UHFFFAOYSA-N.

How many hydrogen bond donor counts are in the compound?

There is 1 hydrogen bond donor count.

What is the molecular weight of the compound?

The molecular weight is 294.34 g/mol.

How many hydrogen bond acceptor counts are in the compound?

There are 5 hydrogen bond acceptor counts.

What is the exact mass of the compound?

The exact mass is 294.14672380 g/mol.

How many rotatable bond counts are in the compound?

There are 10 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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