| CAS Number | 900152-50-3 |
| Catalog Number | AG00IFYR(AGN-PC-0J0XO8) |
| Chemical Name | Methyl 1-[(4-methoxyphenyl)methyl]pyrrole-2-carboxylate |
| IUPAC Name | methyl 1-[(4-methoxyphenyl)methyl]pyrrole-2-carboxylate |
| InChI | InChI=1S/C14H15NO3/c1-17-12-7-5-11(6-8-12)10-15-9-3-4-13(15)14(16)18-2/h3-9H,10H2,1-2H3 |
| InChI Key | QHDUUWCBGIIELM-UHFFFAOYSA-N |
| MDL Number | MFCD22383700 |
| Molecular Formula | C14H15NO3 |
| Molecular Weight | 245.2738 |
| SMILES | COC(=O)c1cccn1Cc1ccc(OC)cc1 |
| Synonyms | 900152-50-3,
Methyl 1-(4-methoxybenzyl)-1H-pyrrole-2-carboxylate,
Methyl 1-[(4-methoxyphenyl)methyl]pyrrole-2-carboxylate,
ACMC-209r4d,
CTK8B2644,
DTXSID80743105,
4962AC,
ANW-39419,
KM2895,
ZINC85210080,
CJ-22229,
AJ-126413,
AX8243120,
TC-128164,
Methyl 1-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxylate,
C14H15NO3,
Methyl1-(4-methoxybenzyl)-1H-pyrrole-2-carboxylate,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.278g/mol |
| Monoisotopic Mass | 245.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number