| CAS Number | 3168-85-2 |
| Catalog Number | AG00CKS2(AGN-PC-0NIM5R) |
| Chemical Name | 2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID METHYL ESTER |
| IUPAC Name | methyl 2-methyl-1H-pyrrole-3-carboxylate |
| InChI | InChI=1S/C7H9NO2/c1-5-6(3-4-8-5)7(9)10-2/h3-4,8H,1-2H3 |
| InChI Key | OBRHFSNTJHVMMB-UHFFFAOYSA-N |
| MDL Number | MFCD09033483 |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.1519 |
| SMILES | O=C(C1=C(C)NC=C1)OC |
| Synonyms | Methyl 2-methyl-1H-pyrrole-3-carboxylate,
3168-85-2,
2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID METHYL ESTER,
2-methyl-1h-pyrrole-3-carboxylic methyl ester,
SCHEMBL4117555,
1H-Pyrrole-3-carboxylic acid, 2-methyl-, methyl ester,
CTK4G7587,
DTXSID30490935,
OBRHFSNTJHVMMB-UHFFFAOYSA-N,
3448AB,
ZINC22003637,
AKOS006332464,
AJ-80202,
TX-016472,
Z1352270289,
C7H9NO2,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.154g/mol |
| Monoisotopic Mass | 139.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number