CAS
898792-12-6 Purity
96%
898792-12-6 Purity
96%
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8-(4-Hexyloxyphenyl)-8-oxooctanoic acid
CAS
898792-15-9
Catalog Number
ACM898792159
Category
Other Products
Molecular Weight
334.45
Molecular Formula
C20H30O4
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Specification
Synonyms
8-(4-HEXYLOXYPHENYL)-8-OXOOCTANOIC ACID
IUPAC Name
8-(4-hexoxyphenyl)-8-oxooctanoic acid
Canonical SMILES
CCCCCCOC1=CC=C(C=C1)C(=O)CCCCCCC(=O)O
InChI Key
BHGLMAQDAQZSLD-UHFFFAOYSA-N
Boiling Point
506.9ºC at 760 mmHg
Flash Point
173.3ºC
Density
1.041g/cm³
Exact Mass
334.21400
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 24727073?
The molecular formula is C20H30O4.
When was the compound first created in the database?
The compound was first created on February 29, 2008.
What is the molecular weight of the compound?
The molecular weight is 334.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 8-(4-hexoxyphenyl)-8-oxooctanoic acid.
What is the InChIKey of the compound?
The InChIKey is BHGLMAQDAQZSLD-UHFFFAOYSA-N.
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 334.21440943 g/mol.
How many rotatable bond counts does the compound have?
The compound has 14 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many covalently-bonded unit counts does the compound have?
The compound has 1 covalently-bonded unit count.
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