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Structure

Benzoicacid,2-(4-morpholinylmethyl)-,lithium salt(1:1)

CAS
904696-60-2
Catalog Number
ACM904696602
Category
Other Products
Molecular Weight
227.18546
Molecular Formula
C12H15NO3.Li

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Specification

Synonyms
LITHIUM 2-(MORPHOLINOMETHYL)BENZOATE, TECH;LITHIUM 2-(MORPHOLINOMETHYL)BENZOATE;Lithium 2-(morpholin-4-ylmethyl)benzoate, tech;LITHIUM 2-(MORPHOLIN-4-YLMETHYL)BENZOATE
IUPAC Name
lithium;2-(morpholin-4-ylmethyl)benzoate
Canonical SMILES
[Li+].C1COCCN1CC2=CC=CC=C2C(=O)[O-]
InChI Key
PKLIDBHLNQBFTO-UHFFFAOYSA-M
Melting Point
>300ºC(dec.)
Exact Mass
227.11300
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Benzoic acid, 2-(4-morpholinylmethyl)-, lithium salt(1:1)?

The molecular formula is C12H14LiNO3.

What are some synonyms for Benzoic acid, 2-(4-morpholinylmethyl)-, lithium salt(1:1)?

Some synonyms include lithium 2-[(morpholin-4-yl)methyl]benzoate and lithium 2-(morpholinomethyl)benzoate.

When was Benzoic acid, 2-(4-morpholinylmethyl)-, lithium salt(1:1) created and modified?

It was created on 2008-02-05 and modified on 2023-12-30.

What is the IUPAC name of Benzoic acid, 2-(4-morpholinylmethyl)-, lithium salt(1:1)?

The IUPAC name is lithium;2-(morpholin-4-ylmethyl)benzoate.

What is the InChI of Benzoic acid, 2-(4-morpholinylmethyl)-, lithium salt(1:1)?

The InChI is InChI=1S/C12H15NO3.Li/c14-12(15)11-4-2-1-3-10(11)9-13-5-7-16-8-6-13;/h1-4H,5-9H2,(H,14,15);/q;+1/p-1.

What is the Canonical SMILES representation of Benzoic acid, 2-(4-morpholinylmethyl)-, lithium salt(1:1)?

The Canonical SMILES is [Li+].C1COCCN1CC2=CC=CC=C2C(=O)[O-].

What is the molecular weight of Benzoic acid, 2-(4-morpholinylmethyl)-, lithium salt(1:1)?

The molecular weight is 227.2 g/mol.

How many hydrogen bond acceptors are in Benzoic acid, 2-(4-morpholinylmethyl)-, lithium salt(1:1)?

There are 4 hydrogen bond acceptors in the compound.

What is the topological polar surface area of Benzoic acid, 2-(4-morpholinylmethyl)-, lithium salt(1:1)?

The topological polar surface area is 52.6 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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