CAS
898791-64-5 Purity
96%
898791-64-5 Purity
96%
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6-(4-Ethoxyphenyl)-6-oxohexanoic acid
CAS
898791-67-8
Catalog Number
ACM898791678
Category
Other Products
Molecular Weight
250.29
Molecular Formula
C14H18O4
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Specification
Synonyms
6-(4-ETHOXYPHENYL)-6-OXOHEXANOIC ACID
IUPAC Name
6-(4-ethoxyphenyl)-6-oxohexanoic acid
SMILES
CCOC1=CC=C(C=C1)C(=O)CCCCC(=O)O
InChI Key
MKYLDCZDARBOBJ-UHFFFAOYSA-N
Boiling Point
444.2ºC at 760 mmHg
Flash Point
166.7ºC
Density
1.126g/cm³
Exact Mass
250.12100
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 6-(4-Ethoxyphenyl)-6-oxohexanoic acid?
The molecular formula is C14H18O4.
When was 6-(4-Ethoxyphenyl)-6-oxohexanoic acid created and last modified?
It was created on 2008-02-29 and last modified on 2023-12-30.
What is the IUPAC name of 6-(4-Ethoxyphenyl)-6-oxohexanoic acid?
The IUPAC name is 6-(4-ethoxyphenyl)-6-oxohexanoic acid.
What is the InChI of 6-(4-Ethoxyphenyl)-6-oxohexanoic acid?
The InChI is InChI=1S/C14H18O4/c1-2-18-12-9-7-11(8-10-12)13(15)5-3-4-6-14(16)17/h7-10H,2-6H2,1H3,(H,16,17).
What is the InChIKey of 6-(4-Ethoxyphenyl)-6-oxohexanoic acid?
The InChIKey is MKYLDCZDARBOBJ-UHFFFAOYSA-N.
What is the Canonical SMILES of 6-(4-Ethoxyphenyl)-6-oxohexanoic acid?
The Canonical SMILES is CCOC1=CC=C(C=C1)C(=O)CCCCC(=O)O.
What is the molecular weight of 6-(4-Ethoxyphenyl)-6-oxohexanoic acid?
The molecular weight is 250.29 g/mol.
How many hydrogen bond donor counts does 6-(4-Ethoxyphenyl)-6-oxohexanoic acid have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 6-(4-Ethoxyphenyl)-6-oxohexanoic acid have?
It has 4 hydrogen bond acceptor counts.
Is the compound of 6-(4-Ethoxyphenyl)-6-oxohexanoic acid canonicalized?
Yes, the compound is canonicalized according to PubChem.
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