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7-(4-Hexyloxyphenyl)-7-oxoheptanoic acid

CAS
898792-12-6
Catalog Number
ACM898792126
Category
Other Products
Molecular Weight
320.42
Molecular Formula
C19H28O4
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Specification

Synonyms
7-(4-HEXYLOXYPHENYL)-7-OXOHEPTANOIC ACID
IUPAC Name
7-(4-hexoxyphenyl)-7-oxoheptanoic acid
Canonical SMILES
CCCCCCOC1=CC=C(C=C1)C(=O)CCCCCC(=O)O
InChI Key
QOYDIJWIIYJQOX-UHFFFAOYSA-N
Boiling Point
496.1ºC at 760 mmHg
Flash Point
171.9ºC
Density
1.051g/cm³
Exact Mass
320.19900
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 7-(4-Hexyloxyphenyl)-7-oxoheptanoic acid?

The molecular formula is C19H28O4.

When was this compound created and modified?

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

What is the IUPAC name of the compound?

The IUPAC name is 7-(4-hexoxyphenyl)-7-oxoheptanoic acid.

What is the InChIKey of the compound?

The InChIKey is QOYDIJWIIYJQOX-UHFFFAOYSA-N.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES is CCCCCCOC1=CC=C(C=C1)C(=O)CCCCCC(=O)O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 4.6.

How many hydrogen bond donor counts does the compound have?

It has 1 hydrogen bond donor count.

How many rotatable bond counts does the compound have?

It has 13 rotatable bond counts.

What is the exact mass of the compound?

The exact mass is 320.19875937 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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