CAS
898791-91-8 Purity
96%
898791-91-8 Purity
96%
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8-Oxo-8-(4-isopropoxyphenyl)octanoic acid
CAS
898791-94-1
Catalog Number
ACM898791941
Category
Other Products
Molecular Weight
292.37
Molecular Formula
C17H24O4
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Specification
Synonyms
8-OXO-8-(4-ISOPROPOXYPHENYL)OCTANOIC ACID
IUPAC Name
8-oxo-8-(4-propan-2-yloxyphenyl)octanoic acid
Canonical SMILES
CC(C)OC1=CC=C(C=C1)C(=O)CCCCCCC(=O)O
InChI Key
SKYZGFPQNMVFJI-UHFFFAOYSA-N
Boiling Point
468.9ºC at 760 mmHg
Flash Point
166.9ºC
Density
1.074g/cm³
Exact Mass
292.16700
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 8-Oxo-8-(4-isopropoxyphenyl)octanoic acid?
The molecular formula is C17H24O4.
When was the compound created and last modified?
The compound was created on February 29, 2008, and last modified on December 30, 2023.
What is the IUPAC name of 8-Oxo-8-(4-isopropoxyphenyl)octanoic acid?
The IUPAC name is 8-oxo-8-(4-propan-2-yloxyphenyl)octanoic acid.
What is the InChIKey of the compound?
The InChIKey is SKYZGFPQNMVFJI-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CC(C)OC1=CC=C(C=C1)C(=O)CCCCCCC(=O)O.
What is the molecular weight of 8-Oxo-8-(4-isopropoxyphenyl)octanoic acid?
The molecular weight is 292.4 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the exact mass of the compound?
The exact mass is 292.16745924 g/mol.
How many rotatable bond counts does the compound have?
The compound has 10 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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