CAS
921938-48-9 Purity
96%
921938-48-9 Purity
96%
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Benzoicacid,3-(3-methyl-1,2,4-oxadiazol-5-yl)-,methyl ester
CAS
921938-57-0
Catalog Number
ACM921938570
Category
Other Products
Molecular Weight
218.21
Molecular Formula
C11H10N2O3
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Specification
Synonyms
Methyl 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
IUPAC Name
methyl 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
Canonical SMILES
CC1=NOC(=N1)C2=CC(=CC=C2)C(=O)OC
InChI Key
RCWCQJAHRPNWBF-UHFFFAOYSA-N
Boiling Point
371.2ºC at 760 mmHg
Melting Point
94-96ºC
Flash Point
178.3ºC
Density
1.225g/cm³
Exact Mass
218.06900
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 24229500?
The molecular formula is C11H10N2O3.
What is the IUPAC name of the compound?
The IUPAC name is methyl 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate.
What is the InChIKey of the compound?
The InChIKey is RCWCQJAHRPNWBF-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass is 218.06914219 g/mol.
What is the topological polar surface area of the compound?
The topological polar surface area is 65.2 A2.
How many heavy atoms are present in the compound?
There are 16 heavy atoms present in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.1.
What is the complexity value of the compound?
The complexity value is 260.
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CAS
921938-59-2 Purity
96%
921938-59-2 Purity
96%
