CAS
98995-40-5 Purity
97%
98995-40-5 Purity
97%
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Propyl picolinate
CAS
98996-05-5
Catalog Number
ACM98996055
Category
Other Products
Molecular Weight
165.19
Molecular Formula
C9H11NO2
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Specification
Synonyms
Propyl picolinate, 98996-05-5, SureCN1268913, CTK5I0159, AKOS008948098, AG-I-00737
IUPAC Name
propyl pyridine-2-carboxylate
Canonical SMILES
CCCOC(=O)C1=CC=CC=N1
InChI Key
ZGFCDUKAUBQIBH-UHFFFAOYSA-N
Boiling Point
260.3ºC at 760mmHg
Flash Point
111.2ºC
Density
1.075g/cm³
Exact Mass
165.07900
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Propyl picolinate according to the reference?
The molecular formula of Propyl picolinate is C9H11NO2.
What is the molecular weight of Propyl picolinate?
The molecular weight of Propyl picolinate is 165.19 g/mol.
When was Propyl picolinate created in PubChem?
Propyl picolinate was created on February 7, 2007.
What is the IUPAC Name of Propyl picolinate?
The IUPAC Name of Propyl picolinate is propyl pyridine-2-carboxylate.
What is the Canonical SMILES of Propyl picolinate?
The Canonical SMILES of Propyl picolinate is CCCOC(=O)C1=CC=CC=N1.
How many hydrogen bond acceptors does Propyl picolinate have?
Propyl picolinate has 3 hydrogen bond acceptors.
What is the topological polar surface area of Propyl picolinate?
The topological polar surface area of Propyl picolinate is 39.2 Å2.
Is the compound Canonicalized?
Yes, the compound is Canonicalized.
How many rotatable bond counts does Propyl picolinate have?
Propyl picolinate has 4 rotatable bond counts.
What is the InChIKey of Propyl picolinate?
The InChIKey of Propyl picolinate is ZGFCDUKAUBQIBH-UHFFFAOYSA-N.
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