Methyl 2,3-Dihydro-1H-indole-7-carboxylate - CAS 112106-91-9
Catalog: |
BB002873 |
Product Name: |
Methyl 2,3-Dihydro-1H-indole-7-carboxylate |
CAS: |
112106-91-9 |
Synonyms: |
2,3-dihydro-1H-indole-7-carboxylic acid methyl ester; methyl 2,3-dihydro-1H-indole-7-carboxylate |
IUPAC Name: | methyl 2,3-dihydro-1H-indole-7-carboxylate |
Description: | Methyl 2,3-Dihydro-1H-indole-7-carboxylate (CAS# 112106-91-9) is a useful research chemical. |
Molecular Weight: | 177.20 |
Molecular Formula: | C10H11NO2 |
Canonical SMILES: | COC(=O)C1=C2C(=CC=C1)CCN2 |
InChI: | InChI=1S/C10H11NO2/c1-13-10(12)8-4-2-3-7-5-6-11-9(7)8/h2-4,11H,5-6H2,1H3 |
InChI Key: | IMJZMELPOAMWJA-UHFFFAOYSA-N |
Storage: | Keep in dark place, Sealed in dry, 2-8 ℃ |
LogP: | 1.57920 |
GHS Hazard Statement: | H302 (50%): 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 |
US-2021032251-A1 | Heterobicyclic amides as inhibitors of cd38 | 20190731 |
WO-2021021986-A1 | Heterobicyclic amides as inhibitors of cd38 | 20190731 |
WO-2020006233-A1 | Immunomodulatory compounds | 20180629 |
AU-2019293235-A1 | Immunomodulatory compounds | 20180629 |
EP-3814330-A1 | Immunomodulatory compounds | 20180629 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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