CAS
898791-93-0 Purity
96%
898791-93-0 Purity
96%
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5-Oxo-5-(4-pentyloxyphenyl)valeric acid
CAS
898791-97-4
Catalog Number
ACM898791974
Category
Other Products
Molecular Weight
278.34
Molecular Formula
C16H22O4
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Specification
Synonyms
5-OXO-5-(4-PENTYLOXYPHENYL)VALERIC ACID
IUPAC Name
5-oxo-5-(4-pentoxyphenyl)pentanoic acid
Canonical SMILES
CCCCCOC1=CC=C(C=C1)C(=O)CCCC(=O)O
InChI Key
HNWFSDWVSFUZRX-UHFFFAOYSA-N
Boiling Point
464.2ºC at 760 mmHg
Flash Point
168.2ºC
Density
1.09g/cm³
Exact Mass
278.15200
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 5-Oxo-5-(4-pentyloxyphenyl)valeric acid?
The molecular formula is C16H22O4.
When was 5-Oxo-5-(4-pentyloxyphenyl)valeric acid created and modified?
It was created on 2008-02-29 and modified on 2023-12-30.
What is the molecular weight of 5-Oxo-5-(4-pentyloxyphenyl)valeric acid?
The molecular weight is 278.34 g/mol.
What is the IUPAC name of 5-Oxo-5-(4-pentyloxyphenyl)valeric acid?
The IUPAC name is 5-oxo-5-(4-pentoxyphenyl)pentanoic acid.
What is the InChIKey of 5-Oxo-5-(4-pentyloxyphenyl)valeric acid?
The InChIKey is HNWFSDWVSFUZRX-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 5-Oxo-5-(4-pentyloxyphenyl)valeric acid have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 5-Oxo-5-(4-pentyloxyphenyl)valeric acid?
The topological polar surface area is 63.6 Ų.
How many rotatable bond counts does 5-Oxo-5-(4-pentyloxyphenyl)valeric acid have?
It has 10 rotatable bond counts.
Is 5-Oxo-5-(4-pentyloxyphenyl)valeric acid a canonical compound?
Yes, it is a canonical compound.
What is the XLogP3-AA value of 5-Oxo-5-(4-pentyloxyphenyl)valeric acid?
The XLogP3-AA value is 3.2.
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