| CAS Number | 944901-61-5 |
| Catalog Number | AG01AMZX |
| Chemical Name | 1-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-(3-methoxyphenyl)triazole-4-carboxylic acid |
| InChI | InChI=1S/C10H9N3O3/c1-16-8-4-2-3-7(5-8)13-6-9(10(14)15)11-12-13/h2-6H,1H3,(H,14,15) |
| InChI Key | HDECHAANEPCLLO-UHFFFAOYSA-N |
| MDL Number | MFCD10696380 |
| Molecular Formula | C10H9N3O3 |
| Molecular Weight | 219.1968 |
| SMILES | COC=1C=C(C=CC1)N1N=NC(=C1)C(=O)O |
| Synonyms | 1-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid,
944901-61-5,
SCHEMBL15578485,
HTS025959,
MFCD10696380,
STL124574,
ZINC20216590,
AKOS005720205,
AB57196,
MCULE-2182863777,
BS-11637,
F2167-4325,
Z2218555018,
C10H9N3O3,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.2g/mol |
| Monoisotopic Mass | 219.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number