CAS
898792-15-9 Purity
96%
898792-15-9 Purity
96%
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5-(4-Heptyloxyphenyl)-5-oxovaleric acid
CAS
898792-18-2
Catalog Number
ACM898792182
Category
Other Products
Molecular Weight
306.40552
Molecular Formula
C18H26O4
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Specification
Synonyms
5-(4-HEPTYLOXYPHENYL)-5-OXOVALERIC ACID, 898792-18-2, CTK5G6862, AKOS016022876, AG-H-67174, KB-195955
IUPAC Name
5-(4-heptoxyphenyl)-5-oxopentanoic acid
Canonical SMILES
CCCCCCCOC1=CC=C(C=C1)C(=O)CCCC(=O)O
InChI Key
FSKCXSYGBLWGTC-UHFFFAOYSA-N
Boiling Point
485.3ºC at 760 mmHg
Flash Point
170.5ºC
Density
1.063g/cm³
Exact Mass
306.18300
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C18H26O4.
When was the compound created and modified according to PubChem?
The compound was created on February 29, 2008, and modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(4-heptoxyphenyl)-5-oxopentanoic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C18H26O4/c1-2-3-4-5-6-14-22-16-12-10-15(11-13-16)17(19)8-7-9-18(20)21/h10-13H,2-9,14H2,1H3,(H,20,21).
What is the InChIKey of the compound?
The InChIKey of the compound is FSKCXSYGBLWGTC-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCCCCCCOC1=CC=C(C=C1)C(=O)CCCC(=O)O.
What is the molecular weight of the compound?
The molecular weight of the compound is 306.4 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 63.6?2.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
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