CAS
898792-00-2 Purity
96%
898792-00-2 Purity
96%
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7-Oxo-7-(4-pentyloxyphenyl)heptanoic acid
CAS
898792-03-5
Catalog Number
ACM898792035
Category
Other Products
Molecular Weight
306.4
Molecular Formula
C18H26O4
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Specification
Synonyms
7-OXO-7-(4-PENTYLOXYPHENYL)HEPTANOIC ACID
IUPAC Name
7-oxo-7-(4-pentoxyphenyl)heptanoic acid
Canonical SMILES
CCCCCOC1=CC=C(C=C1)C(=O)CCCCCC(=O)O
InChI Key
MQZPCXPDYOCOSI-UHFFFAOYSA-N
Boiling Point
485.3ºC at 760 mmHg
Flash Point
170.5ºC
Density
1.063g/cm³
Exact Mass
306.18300
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C18H26O4.
What are some synonyms for the compound?
Some synonyms for the compound are 7-OXO-7-(4-PENTYLOXYPHENYL)HEPTANOIC ACID, 7-oxo-7-(4-pentoxyphenyl)heptanoic acid, and MFCD02261002.
What is the molecular weight of the compound?
The molecular weight of the compound is 306.4 g/mol.
When was the compound created and modified?
The compound was created on 2008-02-29 and modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 7-oxo-7-(4-pentoxyphenyl)heptanoic acid.
What is the InChIKey of the compound?
The InChIKey of the compound is MQZPCXPDYOCOSI-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 63.6 Ų.
How many rotatable bond counts does the compound have?
The compound has 12 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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