| CAS Number | 1235440-33-1 |
| Catalog Number | AG01A895 |
| Chemical Name | 1-(2,2-diethoxyethyl)-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-(2,2-diethoxyethyl)triazole-4-carboxylic acid |
| InChI | InChI=1S/C9H15N3O4/c1-3-15-8(16-4-2)6-12-5-7(9(13)14)10-11-12/h5,8H,3-4,6H2,1-2H3,(H,13,14) |
| InChI Key | IPMSRRWEOUHHAO-UHFFFAOYSA-N |
| MDL Number | MFCD15209667 |
| Molecular Formula | C9H15N3O4 |
| Molecular Weight | 229.2331 |
| SMILES | CCOC(OCC)CN1N=NC(C(O)=O)=C1 |
| Synonyms | 1-(2,2-diethoxyethyl)-1H-1,2,3-triazole-4-carboxylic acid,
1235440-33-1,
AC1Q35FH,
CTK6F9890,
ZINC47843872,
AKOS034784278,
MCULE-1598742126,
NE38910,
EN300-61058,
Z993991138,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.236g/mol |
| Monoisotopic Mass | 229.106g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 86.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number