CAS
898791-88-3 Purity
96%
898791-88-3 Purity
96%
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7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid
CAS
898791-91-8
Catalog Number
ACM898791918
Category
Other Products
Molecular Weight
278.34
Molecular Formula
C16H22O4
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Specification
Synonyms
7-OXO-7-(4-ISOPROPOXYPHENYL)HEPTANOIC ACID
IUPAC Name
7-oxo-7-(4-propan-2-yloxyphenyl)heptanoic acid
Canonical SMILES
CC(C)OC1=CC=C(C=C1)C(=O)CCCCCC(=O)O
InChI Key
UNBIRWQBXQPCCP-UHFFFAOYSA-N
Boiling Point
458.2ºC at 760 mmHg
Flash Point
165.6ºC
Density
1.089g/cm³
Exact Mass
278.15200
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid?
The molecular formula is C16H22O4.
What are some synonyms for 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid?
Some synonyms include 7-oxo-7-(4-propan-2-yloxyphenyl)heptanoic acid and MFCD02260994.
When was 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid created and last modified?
It was created on 2008-02-29 and last modified on 2023-12-30.
What is the molecular weight of 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid?
The molecular weight is 278.34 g/mol.
What is the IUPAC name of 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid?
The IUPAC name is 7-oxo-7-(4-propan-2-yloxyphenyl)heptanoic acid.
What is the InChI key for 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid?
The InChI key is UNBIRWQBXQPCCP-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value for 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid?
The XLogP3-AA value is 3.1.
How many rotatable bond counts does 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid have?
It has 9 rotatable bond counts.
Is 7-Oxo-7-(4-isopropoxyphenyl)heptanoic acid a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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