Methyl 4,5-Dimethylpyrrole-2-carboxylate - CAS 33317-03-2
Catalog: |
BB021660 |
Product Name: |
Methyl 4,5-Dimethylpyrrole-2-carboxylate |
CAS: |
33317-03-2 |
Synonyms: |
4,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester; methyl 4,5-dimethyl-1H-pyrrole-2-carboxylate |
IUPAC Name: | methyl 4,5-dimethyl-1H-pyrrole-2-carboxylate |
Description: | Methyl 4,5-Dimethylpyrrole-2-carboxylate (CAS# 33317-03-2 ) is a useful research chemical. |
Molecular Weight: | 153.18 |
Molecular Formula: | C8H11NO2 |
Canonical SMILES: | CC1=C(NC(=C1)C(=O)OC)C |
InChI: | InChI=1S/C8H11NO2/c1-5-4-7(8(10)11-3)9-6(5)2/h4,9H,1-3H3 |
InChI Key: | RPHZVQXBFWIPKE-UHFFFAOYSA-N |
MDL: | MFCD18072587 |
LogP: | 1.41810 |
Publication Number | Title | Priority Date |
WO-2015038426-A1 | Self-immolative linkers containing mandelic acid derivatives, drug-ligand conjugates for targeted therapies and uses thereof | 20130913 |
CA-2399380-A1 | Pyrrolopyridazine compound | 20000210 |
CZ-20022742-A3 | Pyrrolpyridazine derivatives | 20000210 |
DE-60128329-T2 | Pyrrolopyridazine CONNECTIONS | 20000210 |
EP-1254907-A1 | Pyrrolopyridazine compound | 20000210 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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