3,6-Dimethyl-1H-indole-2-carboxylic Acid - CAS 1260913-57-2
Catalog: |
BB055872 |
Product Name: |
3,6-Dimethyl-1H-indole-2-carboxylic Acid |
CAS: |
1260913-57-2 |
Synonyms: |
3,6-dimethyl-1H-indole-2-carboxylic acid |
IUPAC Name: | 3,6-dimethyl-1H-indole-2-carboxylic acid |
Molecular Weight: | 189.21 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | CC1=CC2=C(C=C1)C(=C(N2)C(=O)O)C |
InChI: | InChI=1S/C11H11NO2/c1-6-3-4-8-7(2)10(11(13)14)12-9(8)5-6/h3-5,12H,1-2H3,(H,13,14) |
InChI Key: | HHRRYJZOCLMVHF-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2724774-A1 | Pyrazolospiroketone acetyl-coa carboxylase inhibitors | 20080528 |
EP-2297163-A1 | Pyrazolospiroketone acetyl-c0a carboxylase inhibitors | 20080528 |
EP-2297163-B1 | Pyrazolospiroketone acetyl-CoA carboxylase inhibitors | 20080528 |
ES-2545231-T3 | Pyrazoloespirocetone acetyl-CoA carboxylase inhibitors | 20080528 |
JP-2011521939-A | Pyrazolospiroketone acetyl CoA carboxylase inhibitor | 20080528 |
JP-5435592-B2 | Pyrazolospiroketone acetyl CoA carboxylase inhibitor | 20080528 |
US-2011028390-A1 | Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors | 20080528 |
US-8318762-B2 | Pyrazolospiroketone acetyl-CoA carboxylase inhibitors | 20080528 |
WO-2009144554-A1 | Pyrazolospiroketone acetyl-c0a carboxylase inhibitors | 20080528 |
HU-T70051-A | Novel tricyclic-cyclic amines as cholinesterase inhibitors, pharmaceutical compositions containing them and process for preparing them | 19900208 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.078978594 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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