CAS
898792-20-6 Purity
96%
898792-20-6 Purity
96%
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7-(4-Heptyloxyphenyl)-7-oxoheptanoic acid
CAS
898792-23-9
Catalog Number
ACM898792239
Category
Other Products
Molecular Weight
334.45
Molecular Formula
C20H30O4
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Specification
Synonyms
7-(4-HEPTYLOXYPHENYL)-7-OXOHEPTANOIC ACID
IUPAC Name
7-(4-heptoxyphenyl)-7-oxoheptanoic acid
Canonical SMILES
CCCCCCCOC1=CC=C(C=C1)C(=O)CCCCCC(=O)O
InChI Key
YDHYLWRJESQARN-UHFFFAOYSA-N
Boiling Point
506.9ºC at 760 mmHg
Flash Point
173.3ºC
Density
1.041g/cm³
Exact Mass
334.21400
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C20H30O4.
When was the compound created and modified according to PubChem?
The compound was created on 2008-02-29 and modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 7-(4-heptoxyphenyl)-7-oxoheptanoic acid.
What is the molecular weight of the compound?
The molecular weight of the compound is 334.4 g/mol.
What is the InChIKey of the compound?
The InChIKey of the compound is YDHYLWRJESQARN-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count in the compound.
How many rotatable bond counts are there in the compound?
There are 14 rotatable bond counts in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 63.6 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many covalently-bonded unit counts are there in the compound?
There is 1 covalently-bonded unit count in the compound.
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