CID 28811226
PubChem CID
28811226
Structure
Molecular Formula
Status
Non-live
Molecular Weight
274.29 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
5-(methoxymethyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxylate
InChI=1S/C14H17N3O3/c1-9(2)10-4-6-11(7-5-10)17-12(8-20-3)13(14(18)19)15-16-17/h4-7,9H,8H2,1-3H3,(H,18,19)/p-1
XRNKEUFYLIDJBX-UHFFFAOYSA-M
CC(C)C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)[O-])COC
C14H16N3O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
274.29 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
274.11916638 g/mol
Property Name
Monoisotopic Mass
Property Value
274.11916638 g/mol
Property Name
Topological Polar Surface Area
Property Value
80.1 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
324
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS