6-Methylindole-3-acetic Acid - CAS 52531-20-1
Catalog: |
BB027859 |
Product Name: |
6-Methylindole-3-acetic Acid |
CAS: |
52531-20-1 |
Synonyms: |
2-(6-methyl-1H-indol-3-yl)acetic acid; 2-(6-methyl-1H-indol-3-yl)acetic acid |
IUPAC Name: | 2-(6-methyl-1H-indol-3-yl)acetic acid |
Description: | 6-Methylindole-3-acetic Acid (CAS# 52531-20-1) is a useful research chemical. |
Molecular Weight: | 189.21 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | CC1=CC2=C(C=C1)C(=CN2)CC(=O)O |
InChI: | InChI=1S/C11H11NO2/c1-7-2-3-9-8(5-11(13)14)6-12-10(9)4-7/h2-4,6,12H,5H2,1H3,(H,13,14) |
InChI Key: | NSQSUWPYDQJPAS-UHFFFAOYSA-N |
MDL: | MFCD10035273 |
LogP: | 2.10340 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2018285831-A1 | Bicyclic heteroaromatic amide compounds for use in therapy | 20170614 |
CN-111032653-A | Bicyclic heteroaromatic amide compounds for therapy | 20170614 |
EP-3638667-A1 | Bicyclic heteroaromatic amide compounds for use in therapy | 20170614 |
US-2020216435-A1 | Bicyclic heteroaromatic amide compounds for use in therapy | 20170614 |
WO-2018229195-A1 | Bicyclic heteroaromatic amide compounds for use in therapy | 20170614 |
PMID | Publication Date | Title | Journal |
17481907 | 20070701 | Binding of ring-substituted indole-3-acetic acids to human serum albumin | Bioorganic & medicinal chemistry |
Complexity: | 229 |
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: | 2 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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