CAS
898792-18-2 Purity
96%
898792-18-2 Purity
96%
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6-(4-Heptyloxyphenyl)-6-oxohexanoic acid
CAS
898792-21-7
Catalog Number
ACM898792217
Category
Other Products
Molecular Weight
320.42
Molecular Formula
C19H28O4
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Specification
Synonyms
6-(4-HEPTYLOXYPHENYL)-6-OXOHEXANOIC ACID
IUPAC Name
6-(4-heptoxyphenyl)-6-oxohexanoic acid
Canonical SMILES
CCCCCCCOC1=CC=C(C=C1)C(=O)CCCCC(=O)O
InChI Key
BUPLZZJJCCCLNR-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 6-(4-Heptyloxyphenyl)-6-oxohexanoic acid?
The molecular formula is C19H28O4.
When was this compound created and last modified?
It was created on 2008-02-29 and last modified on 2023-12-30.
What is the IUPAC name of this compound?
The IUPAC name is 6-(4-heptoxyphenyl)-6-oxohexanoic acid.
What is the InChI key for this compound?
The InChI key is BUPLZZJJCCCLNR-UHFFFAOYSA-N.
What is the canonical SMILES representation of this compound?
The canonical SMILES is CCCCCCCOC1=CC=C(C=C1)C(=O)CCCCC(=O)O.
What is the molecular weight of this compound?
The molecular weight is 320.4 g/mol.
How many hydrogen bond donor counts are there in this compound?
There is 1 hydrogen bond donor count in this compound.
What is the topological polar surface area of this compound?
The topological polar surface area is 63.6 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many rotatable bond counts are there in this compound?
There are 13 rotatable bond counts in this compound.
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