Benzoic acid,3-[(6-methyl-2-pyrazinyl)oxy]-,ethyl ester

CAS
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CAS
906352-99-6
Size
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Purity
96%
Price
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Catalog Number

ACM906352996

Product Name

Benzoic acid,3-[(6-methyl-2-pyrazinyl)oxy]-,ethyl ester

Structure

Structure

CAS

906352-99-6

Category

Heterocyclic Organic Compound

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

Molecular Weight

258.27256

Molecular Formula

C₁₄H₁₄N₂O₃

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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 Å².

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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