CAS
90934-46-6 Purity
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90934-46-6 Purity
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1-Pyrenehexanoic acid
CAS
90936-85-9
Catalog Number
ACM90936859
Category
Other Products
Molecular Weight
316.39
Molecular Formula
C22H20O2
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Specification
Synonyms
6-(1-PYRENYL)CAPROIC ACID;6-(1-PYRENYL)HEXANOIC ACID;1-PYRENEHEXANOIC ACID;6-(1-PYRENYL)HEXANOIC ACID, FOR FLUORESC ENCE;6-pyrenylhexanoic acid;6-(1-Pyrenyl)caproic acid, 6-(1-Pyrenyl)hexanoic acid
IUPAC Name
6-pyren-1-ylhexanoic acid
Canonical SMILES
C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCCC(=O)O
InChI Key
NIFCSIAVYVXOTG-UHFFFAOYSA-N
Boiling Point
552.2ºC at 760mmHg
Melting Point
199-201ºC(lit.)
Flash Point
448.5ºC
Density
1.238g/cm³
Exact Mass
316.14600
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
2
H-Bond Donor
1
Safety Description
26-36
What is the molecular formula of 1-Pyrenehexanoic acid?
The molecular formula of 1-Pyrenehexanoic acid is C22H20O2.
When was 1-Pyrenehexanoic acid created according to the reference?
1-Pyrenehexanoic acid was created on July 19, 2005.
What is the molecular weight of 1-Pyrenehexanoic acid?
The molecular weight of 1-Pyrenehexanoic acid is 316.4 g/mol.
How many hydrogen bond donor counts does 1-Pyrenehexanoic acid have?
1-Pyrenehexanoic acid has 1 hydrogen bond donor count.
What is the topological polar surface area of 1-Pyrenehexanoic acid?
The topological polar surface area of 1-Pyrenehexanoic acid is 37.3 Ų.
What is the XLogP3-AA value of 1-Pyrenehexanoic acid?
The XLogP3-AA value of 1-Pyrenehexanoic acid is 6.2.
How many rotatable bond counts does 1-Pyrenehexanoic acid have?
1-Pyrenehexanoic acid has 6 rotatable bond counts.
What is the exact mass and monoisotopic mass of 1-Pyrenehexanoic acid?
The exact mass and monoisotopic mass of 1-Pyrenehexanoic acid is 316.146329876 g/mol.
Does 1-Pyrenehexanoic acid have any defined atom stereocenter count?
1-Pyrenehexanoic acid does not have any defined atom stereocenter count.
Is 1-Pyrenehexanoic acid compound canonicalized?
Yes, 1-Pyrenehexanoic acid is canonicalized.
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