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Structure

Benzoicacid,3-[(6-methyl-2-pyrazinyl)oxy]-

CAS
906352-96-3
Catalog Number
ACM906352963
Category
Other Products
Molecular Weight
230.22
Molecular Formula
C12H10N2O3

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Specification

Synonyms
3-[(6-Methylpyrazin-2-yl)oxy]benzoic acid, 906352-96-3, CTK3I6449, MolPort-000-143-954, SBB097579, AG-H-71962, CC62601, 3-(6-methylpyrazin-2-yloxy)benzoic acid, KB-88004, Benzoicacid, 3-[(6-methyl-2-pyrazinyl)oxy]-, I01-16710
IUPAC Name
3-(6-methylpyrazin-2-yl)oxybenzoic acid
Canonical SMILES
CC1=CN=CC(=N1)OC2=CC=CC(=C2)C(=O)O
InChI Key
OKPBLLHANTVVJS-UHFFFAOYSA-N
Boiling Point
409.9ºC at 760 mmHg
Melting Point
130-134ºC
Flash Point
201.7ºC
Density
1.313g/cm³
Exact Mass
230.06900
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of Benzoicacid, 3-[(6-methyl-2-pyrazinyl)oxy]?

The molecular formula is C12H10N2O3.

What are some synonyms for Benzoicacid, 3-[(6-methyl-2-pyrazinyl)oxy]?

Some synonyms include 3-(6-methylpyrazin-2-yl)oxybenzoic acid and 3-((6-Methylpyrazin-2-yl)oxy)benzoic acid.

What is the molecular weight of Benzoicacid, 3-[(6-methyl-2-pyrazinyl)oxy]?

The molecular weight is 230.22 g/mol.

When was Benzoicacid, 3-[(6-methyl-2-pyrazinyl)oxy] created and last modified on PubChem?

It was created on 2008-02-29 and last modified on 2023-12-30.

What is the IUPAC name of Benzoicacid, 3-[(6-methyl-2-pyrazinyl)oxy]?

The IUPAC name is 3-(6-methylpyrazin-2-yl)oxybenzoic acid.

What is the InChIKey of Benzoicacid, 3-[(6-methyl-2-pyrazinyl)oxy]?

The InChIKey is OKPBLLHANTVVJS-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Benzoicacid, 3-[(6-methyl-2-pyrazinyl)oxy] have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of Benzoicacid, 3-[(6-methyl-2-pyrazinyl)oxy]?

The topological polar surface area is 72.3 Ų.

How many rotatable bond counts does Benzoicacid, 3-[(6-methyl-2-pyrazinyl)oxy] have?

It has 3 rotatable bond counts.

Is Benzoicacid, 3-[(6-methyl-2-pyrazinyl)oxy] considered as a canonicalized compound in PubChem?

Yes, Benzoicacid, 3-[(6-methyl-2-pyrazinyl)oxy] is considered a canonicalized compound in PubChem.

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