| CAS Number | 939053-55-1 |
| Catalog Number | AG01B9V6 |
| Chemical Name | [5-(2-methoxyphenyl)-1H-pyrazol-3-yl]methanol |
| IUPAC Name | [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methanol |
| InChI | InChI=1S/C11H12N2O2/c1-15-11-5-3-2-4-9(11)10-6-8(7-14)12-13-10/h2-6,14H,7H2,1H3,(H,12,13) |
| InChI Key | IXIODNUPYPVUBO-UHFFFAOYSA-N |
| MDL Number | MFCD16305649 |
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.2252 |
| SMILES | COC1=C(C2NN=C(CO)C=2)C=CC=C1 |
| Synonyms | [5-(2-methoxyphenyl)-1H-pyrazol-3-yl]methanol,
939053-55-1,
(3-(2-methoxyphenyl)-1H-pyrazol-5-yl)methanol,
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methanol,
1H-Pyrazole-3-methanol, 5-(2-methoxyphenyl)-,
SCHEMBL1528616,
SCHEMBL16861341,
ZINC41212573,
AKOS005350724,
F1907-0128,
Z2584270333,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.229g/mol |
| Monoisotopic Mass | 204.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number