CAS
898792-62-6 Purity
96%
898792-62-6 Purity
96%
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8-(2-Chlorophenyl)-8-oxooctanoic acid
CAS
898792-65-9
Catalog Number
ACM898792659
Category
Other Products
Molecular Weight
268.74
Molecular Formula
C14H17ClO3
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Specification
Synonyms
8-(2-CHLOROPHENYL)-8-OXOOCTANOIC ACID
IUPAC Name
8-(2-chlorophenyl)-8-oxooctanoic acid
SMILES
C1=CC=C(C(=C1)C(=O)CCCCCCC(=O)O)Cl
InChI Key
WZQZLNOXRQSGBB-UHFFFAOYSA-N
Boiling Point
414.1ºC at 760 mmHg
Flash Point
204.2ºC
Density
1.186g/cm³
Exact Mass
268.08700
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 8-(2-chlorophenyl)-8-oxooctanoic acid?
The molecular formula is C14H17ClO3.
When was 8-(2-chlorophenyl)-8-oxooctanoic acid created and modified in PubChem?
It was created on 2008-02-29 and modified on 2023-12-30.
What is the IUPAC name of 8-(2-chlorophenyl)-8-oxooctanoic acid?
The IUPAC name is 8-(2-chlorophenyl)-8-oxooctanoic acid.
What is the InChI of 8-(2-chlorophenyl)-8-oxooctanoic acid?
The InChI is InChI=1S/C14H17ClO3/c15-12-8-6-5-7-11(12)13(16)9-3-1-2-4-10-14(17)18/h5-8H,1-4,9-10H2,(H,17,18).
What is the InChIKey of 8-(2-chlorophenyl)-8-oxooctanoic acid?
The InChIKey is WZQZLNOXRQSGBB-UHFFFAOYSA-N.
What is the canonical SMILES of 8-(2-chlorophenyl)-8-oxooctanoic acid?
The canonical SMILES is C1=CC=C(C(=C1)C(=O)CCCCCCC(=O)O)Cl.
What is the molecular weight of 8-(2-chlorophenyl)-8-oxooctanoic acid?
The molecular weight is 268.73 g/mol.
How many hydrogen bond donor counts does 8-(2-chlorophenyl)-8-oxooctanoic acid have?
It has 1 hydrogen bond donor count.
What is the exact mass of 8-(2-chlorophenyl)-8-oxooctanoic acid?
The exact mass is 268.0866221 g/mol.
Is the compound of 8-(2-chlorophenyl)-8-oxooctanoic acid canonicalized?
Yes, the compound is canonicalized.
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