methyl 3-(cyanomethyl)-1H-indole-5-carboxylate (CAS 113438-59-8) — formula C12H10N2O2, molecular weight 214.22; category organic chemicals.
| CAS Number | 113438-59-8 |
|---|---|
| Molecular Formula | C12H10N2O2 |
| Molecular Weight | 214.22 |
| LogP | 1.6 |
| Category | Organic Chemicals |
methyl 3-(cyanomethyl)-1H-indole-5-carboxylate is a carbon-based organic compound with CAS registry number 113438-59-8 and molecular formula C12H10N2O2 (molecular weight 214.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 113438-59-8
Its molecular formula C12H10N2O2 comprises 12 C, 10 H, 2 N, 2 O atoms.
Also known as: methyl 3-(cyanomethyl)-1H-indole-5-carboxylate · 3-(氰甲基)-1H-吲哚-5-甲酸甲酯
Category: organic chemicals
The CAS registry number of methyl 3-(cyanomethyl)-1H-indole-5-carboxylate is 113438-59-8.
Molecular formula C12H10N2O2, molecular weight 214.22.
It is also registered under: methyl 3-(cyanomethyl)-1H-indole-5-carboxylate, 3-(氰甲基)-1H-吲哚-5-甲酸甲酯.
Category: Organic Chemicals.
Independent reference data for methyl 3-(cyanomethyl)-1H-indole-5-carboxylate (CAS 113438-59-8), compiled from public chemistry databases.
| CAS Registry Number | 113438-59-8 |
|---|---|
| PubChem CID | 21279878 |
| Molecular formula | C12H10N2O2 |
| IUPAC name | methyl 3-(cyanomethyl)-1H-indole-5-carboxylate |
| Molecular Weight | 214.22 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 214.074227566 |
| Monoisotopic Mass | 214.074227566 |
| Topological Polar Surface Area | 65.9 |
| Heavy Atom Count | 16 |
Methyl 3-(cyanomethyl)-1H-indole-5-carboxylate; 113438-59-8; RefChem:815008; 810-833-9; MFCD09954797; 1H-Indole-5-carboxylic acid, 3-(cyanomethyl)-, methyl ester; orb3022974; SCHEMBL2999443; 3-(cyanomethyl)-1H-Indole-5-carboxylic acid methyl ester; TPL0014; VLFBRVZBFMLNAS-UHFFFAOYSA-N; NEA43859; AKOS025404860; AS-70795; SY272860; DB-221030
| Reported hazard statements | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
methyl 3-(cyanomethyl)-1H-indole-5-carboxylate · CAS 113438-59-8 · C12H10N2O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(氰甲基)-1H-吲哚-5-甲酸甲酯