CAS
959237-42-4 Purity
96%
959237-42-4 Purity
96%
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(3-Ethyl-1,2,4-oxadiazol-5-yl)methanol
CAS
959237-62-8
Catalog Number
ACM959237628
Category
Other Products
Molecular Weight
128.129220 [g/mol]
Molecular Formula
C5H8N2O2
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Specification
Synonyms
959237-62-8, SureCN344545, Ambcb4012583, CTK5H8352, MolPort-012-088-075, ZINC19089789, AKOS009592607, AG-H-94381, AB1008949, (3-ETHYL-1,2,4-OXADIAZOL-5-YL)METHANOL
IUPAC Name
(3-ethyl-1,2,4-oxadiazol-5-yl)methanol
Canonical SMILES
CCC1=NOC(=N1)CO
InChI Key
XCFHOYKWHOGMNG-UHFFFAOYSA-N
Boiling Point
249.5ºC at 760 mmHg
Flash Point
104.7ºC
Density
1.216g/cm³
Exact Mass
128.05900
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of (3-Ethyl-1,2,4-oxadiazol-5-yl)methanol?
The molecular formula is C5H8N2O2.
What is the molecular weight of (3-Ethyl-1,2,4-oxadiazol-5-yl)methanol?
The molecular weight is 128.13 g/mol.
When was (3-Ethyl-1,2,4-oxadiazol-5-yl)methanol created?
It was created on May 28, 2009.
What is the IUPAC name of (3-Ethyl-1,2,4-oxadiazol-5-yl)methanol?
The IUPAC name is (3-ethyl-1,2,4-oxadiazol-5-yl)methanol.
What is the InChIKey of (3-Ethyl-1,2,4-oxadiazol-5-yl)methanol?
The InChIKey is XCFHOYKWHOGMNG-UHFFFAOYSA-N.
How many hydrogen bond acceptors are there in (3-Ethyl-1,2,4-oxadiazol-5-yl)methanol?
There are 4 hydrogen bond acceptors.
What is the topological polar surface area of (3-Ethyl-1,2,4-oxadiazol-5-yl)methanol?
The topological polar surface area is 59.2 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of (3-Ethyl-1,2,4-oxadiazol-5-yl)methanol?
The XLogP3-AA value is 0.1.
How many rotatable bonds does (3-Ethyl-1,2,4-oxadiazol-5-yl)methanol have?
It has 2 rotatable bonds.
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