CAS
906352-96-3 Purity
96%
906352-96-3 Purity
96%
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Benzoic acid,3-[(6-methyl-2-pyrazinyl)oxy]-,ethyl ester
CAS
906352-99-6
Catalog Number
ACM906352996
Category
Other Products
Molecular Weight
258.27256
Molecular Formula
C14H14N2O3
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Specification
Synonyms
Ethyl 3-[(6-methylpyrazin-2-yl)oxy]benzoate, 906352-99-6, CTK5G8231, MolPort-000-143-963, SBB102015, ZINC12370724, AG-H-71965, CC62623, ethyl 3-(6-methylpyrazin-2-yloxy)benzoate, I01-21704
IUPAC Name
ethyl 3-(6-methylpyrazin-2-yl)oxybenzoate
Canonical SMILES
CCOC(=O)C1=CC(=CC=C1)OC2=NC(=CN=C2)C
InChI Key
ALDBUDYDJSLBJO-UHFFFAOYSA-N
Boiling Point
380.9ºC at 760mmHg
Melting Point
50.5-51.5ºC
Flash Point
184.1ºC
Density
1.189g/cm³
Exact Mass
258.10000
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of ethyl 3-[(6-methylpyrazin-2-yl)oxy]benzoate?
The molecular formula is C14H14N2O3.
When was the compound created and last modified?
The compound was created on February 29, 2008, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is ethyl 3-(6-methylpyrazin-2-yl)oxybenzoate.
What is the InChI of the compound?
The InChI is InChI=1S/C14H14N2O3/c1-3-18-14(17)11-5-4-6-12(7-11)19-13-9-15-8-10(2)16-13/h4-9H,3H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey is ALDBUDYDJSLBJO-UHFFFAOYSA-N.
What is the molecular weight of the compound?
The molecular weight is 258.27 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 61.3 Ų.
How many rotatable bond counts does the compound have?
The compound has 5 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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