200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 817176-68-4
817176-68-4 | Propanedioic acid, 1H-1,2,3-triazol-1-yl-, diethyl ester
CAS No: 817176-68-4 Catalog No: AG005J09 MDL No:
Product Description
Catalog Number:
AG005J09
Chemical Name:
Propanedioic acid, 1H-1,2,3-triazol-1-yl-, diethyl ester
CAS Number:
817176-68-4
Molecular Formula:
C9H13N3O4
Molecular Weight:
227.2172
IUPAC Name:
diethyl 2-(triazol-1-yl)propanedioate
InChI:
InChI=1S/C9H13N3O4/c1-3-15-8(13)7(9(14)16-4-2)12-6-5-10-11-12/h5-7H,3-4H2,1-2H3
InChI Key:
VGCIEPOGVSEJPD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(n1ccnn1)C(=O)OCC
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.22g/mol
Monoisotopic Mass:
227.091g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.