CAS
94159-22-5 Purity
96%
94159-22-5 Purity
96%
![1-Propanaminium,N-(2-hydroxyethyl)-N,N-dimethyl-3-[[(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)carbonyl]amino]-,chloride(1:1)](https://resource.alfa-chemistry.com/structure/94159-27-0.gif)
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3-Methoxyphenyl O-acetylsalicylate
CAS
94159-26-9
Catalog Number
ACM94159269
Category
Other Products
Molecular Weight
286.279360 [g/mol]
Molecular Formula
C16H14O5
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Specification
Synonyms
3-Methoxyphenyl o-acetylsalicylate, EINECS 303-204-0, CID11971304, 94159-26-9
IUPAC Name
(3-methoxyphenyl) 2-acetyloxybenzoate
Canonical SMILES
CC(=O)OC1=CC=CC=C1C(=O)OC2=CC(=CC=C2)OC
InChI Key
NEPVYKZQDZUSFC-UHFFFAOYSA-N
EC Number
303-204-0
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 3-Methoxyphenyl O-acetylsalicylate?
The molecular formula of 3-Methoxyphenyl O-acetylsalicylate is C16H14O5.
When was 3-Methoxyphenyl O-acetylsalicylate created and modified?
3-Methoxyphenyl O-acetylsalicylate was created on December 27, 2006, and modified on December 30, 2023.
What is the IUPAC name of 3-Methoxyphenyl O-acetylsalicylate?
The IUPAC name of 3-Methoxyphenyl O-acetylsalicylate is (3-methoxyphenyl) 2-acetyloxybenzoate.
What is the InChIKey of 3-Methoxyphenyl O-acetylsalicylate?
The InChIKey of 3-Methoxyphenyl O-acetylsalicylate is NEPVYKZQDZUSFC-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 3-Methoxyphenyl O-acetylsalicylate have?
3-Methoxyphenyl O-acetylsalicylate has 5 hydrogen bond acceptors.
What is the exact mass of 3-Methoxyphenyl O-acetylsalicylate?
The exact mass of 3-Methoxyphenyl O-acetylsalicylate is 286.08412354 g/mol.
What is the topological polar surface area of 3-Methoxyphenyl O-acetylsalicylate?
The topological polar surface area of 3-Methoxyphenyl O-acetylsalicylate is 61.8 Ų.
How many rotatable bonds does 3-Methoxyphenyl O-acetylsalicylate have?
3-Methoxyphenyl O-acetylsalicylate has 6 rotatable bonds.
Is 3-Methoxyphenyl O-acetylsalicylate a covalently-bonded unit?
Yes, 3-Methoxyphenyl O-acetylsalicylate is a covalently-bonded unit.
What is the complexity of 3-Methoxyphenyl O-acetylsalicylate?
The complexity of 3-Methoxyphenyl O-acetylsalicylate is 368.
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