CAS
913955-35-8 Purity
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913955-35-8 Purity
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5-Methyl-3-isoxazolecarboxylic acid benzylidenehydrazide
CAS
91397-11-4
Catalog Number
ACM91397114
Category
Other Products
Molecular Weight
229.23
Molecular Formula
C12H11N3O2
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Specification
Synonyms
5-Methyl-3-isoxazolecarboxylic Acid (Phenylmethylene)hydrazide;
IUPAC Name
N-[(E)-benzylideneamino]-5-methyl-1,2-oxazole-3-carboxamide
Canonical SMILES
CC1=CC(=NO1)C(=O)NN=CC2=CC=CC=C2
InChI Key
RKVTXLNPABCANZ-MDWZMJQESA-N
Appearance
Off-White Solid
Exact Mass
229.08500
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 5-Methyl-3-isoxazolecarboxylic acid benzylidenehydrazide?
The molecular formula is C12H11N3O2.
What is the molecular weight of 5-Methyl-3-isoxazolecarboxylic acid benzylidenehydrazide?
The molecular weight is 229.23 g/mol.
When was 5-Methyl-3-isoxazolecarboxylic acid benzylidenehydrazide created?
It was created on November 1, 2013.
When was 5-Methyl-3-isoxazolecarboxylic acid benzylidenehydrazide last modified?
It was last modified on December 30, 2023.
What is the IUPAC name of 5-Methyl-3-isoxazolecarboxylic acid benzylidenehydrazide?
The IUPAC name is N-[(E)-benzylideneamino]-5-methyl-1,2-oxazole-3-carboxamide.
What is the InChI of 5-Methyl-3-isoxazolecarboxylic acid benzylidenehydrazide?
The InChI is InChI=1S/C12H11N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-8H,1H3,(H,14,16)/b13-8+.
What is the InChIKey of 5-Methyl-3-isoxazolecarboxylic acid benzylidenehydrazide?
The InChIKey is RKVTXLNPABCANZ-MDWZMJQESA-N.
What is the canonical SMILES of 5-Methyl-3-isoxazolecarboxylic acid benzylidenehydrazide?
The canonical SMILES is CC1=CC(=NO1)C(=O)NN=CC2=CC=CC=C2.
What are the computed properties of 5-Methyl-3-isoxazolecarboxylic acid benzylidenehydrazide?
Some computed properties include the molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and whether the compound is canonicalized.
Is 5-Methyl-3-isoxazolecarboxylic acid benzylidenehydrazide a canonicalized compound?
Yes, it is a canonicalized compound.
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