CAS
898791-42-9 Purity
96%
898791-42-9 Purity
96%
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7-(4-t-Butylphenyl)-7-oxoheptanoic acid
CAS
898791-45-2
Catalog Number
ACM898791452
Category
Other Products
Molecular Weight
276.37
Molecular Formula
C17H24O3
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Specification
Synonyms
7-(4-T-BUTYLPHENYL)-7-OXOHEPTANOIC ACID
IUPAC Name
7-(4-tert-butylphenyl)-7-oxoheptanoic acid
Canonical SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCCC(=O)O
InChI Key
WADGTQNUTOISTD-UHFFFAOYSA-N
Boiling Point
442.7ºC at 760 mmHg
Flash Point
235.7ºC
Density
1.043g/cm³
Exact Mass
276.17300
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 7-(4-t-Butylphenyl)-7-oxoheptanoic acid?
The molecular formula is C17H24O3.
When was 7-(4-t-Butylphenyl)-7-oxoheptanoic acid created?
It was created on February 29, 2008.
What is the molecular weight of 7-(4-t-Butylphenyl)-7-oxoheptanoic acid?
The molecular weight is 276.4 g/mol.
What is the IUPAC name of 7-(4-t-Butylphenyl)-7-oxoheptanoic acid?
The IUPAC name is 7-(4-tert-butylphenyl)-7-oxoheptanoic acid.
What is the InChI key of 7-(4-t-Butylphenyl)-7-oxoheptanoic acid?
The InChI key is WADGTQNUTOISTD-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 7-(4-t-Butylphenyl)-7-oxoheptanoic acid have?
It has 3 hydrogen bond acceptors.
What is the XLogP3-AA value of 7-(4-t-Butylphenyl)-7-oxoheptanoic acid?
The XLogP3-AA value is 4.
What is the exact mass of 7-(4-t-Butylphenyl)-7-oxoheptanoic acid?
The exact mass is 276.17254462 g/mol.
How many rotatable bond counts does 7-(4-t-Butylphenyl)-7-oxoheptanoic acid have?
It has 8 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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