7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid

CAS
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CAS
898791-91-8
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM898791918

Product Name

7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid

Structure

Structure

CAS

898791-91-8

Category

Heterocyclic Organic Compound

Synonyms

7-OXO-7-(4-ISOPROPOXYPHENYL)HEPTANOIC ACID

IUPAC Name

7-oxo-7-(4-propan-2-yloxyphenyl)heptanoic acid

Molecular Weight

278.34

Molecular Formula

C₁₆H₂₂O₄

Canonical SMILES

CC(C)OC1=CC=C(C=C1)C(=O)CCCCCC(=O)O

InChI Key

UNBIRWQBXQPCCP-UHFFFAOYSA-N

Boiling Point

458.2ºC at 760 mmHg

Flash Point

165.6ºC

Density

1.089g/cm³

Exact Mass

278.15200

H-Bond Acceptor

4

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid?

The molecular formula is C16H22O4.

What are some synonyms for 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid?

Some synonyms include 7-oxo-7-(4-propan-2-yloxyphenyl)heptanoic acid and MFCD02260994.

When was 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid created and last modified?

It was created on 2008-02-29 and last modified on 2023-12-30.

What is the molecular weight of 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid?

The molecular weight is 278.34 g/mol.

What is the IUPAC name of 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid?

The IUPAC name is 7-oxo-7-(4-propan-2-yloxyphenyl)heptanoic acid.

What is the InChI key for 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid?

The InChI key is UNBIRWQBXQPCCP-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid have?

It has 1 hydrogen bond donor count.

What is the XLogP3-AA value for 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid?

The XLogP3-AA value is 3.1.

How many rotatable bond counts does 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid have?

It has 9 rotatable bond counts.

Is 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

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