| CAS Number | 1297546-22-5 |
| Catalog Number | AG000TMN(AGN-PC-0WCKDJ) |
| Chemical Name | ethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate |
| IUPAC Name | ethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate |
| InChI | InChI=1S/C8H12N2O3/c1-3-13-8(11)7-4-6(5-12-2)9-10-7/h4H,3,5H2,1-2H3,(H,9,10) |
| InChI Key | HAVGYLPMVBRFCV-UHFFFAOYSA-N |
| MDL Number | MFCD23105878 |
| Molecular Formula | C8H12N2O3 |
| Molecular Weight | 184.1925 |
| SMILES | CCOC(=O)c1cc(COC)[nH]n1 |
| Synonyms | ethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate,
1297546-22-5,
SCHEMBL1817376,
HAVGYLPMVBRFCV-UHFFFAOYSA-N,
MFCD23105878,
ZINC97757513,
PB38879,
SB20435,
KS-000007B9,
AK172410,
AS-34616,
CS-0049450,
Q-3260,
Ethyl 3-(methoxymethyl)-1H-pyrazole-5-carboxylate,
1H-Pyrazole-3-carboxylic acid, 5-(methoxymethyl)-, ethyl ester,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.195g/mol |
| Monoisotopic Mass | 184.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number