Methyl 3-Formylindole-2-carboxylate - CAS 18450-26-5
Catalog: |
BB014144 |
Product Name: |
Methyl 3-Formylindole-2-carboxylate |
CAS: |
18450-26-5 |
Synonyms: |
3-formyl-1H-indole-2-carboxylic acid methyl ester; methyl 3-formyl-1H-indole-2-carboxylate |
IUPAC Name: | methyl 3-formyl-1H-indole-2-carboxylate |
Description: | Methyl 3-Formylindole-2-carboxylate (CAS# 18450-26-5) is a useful research chemical. |
Molecular Weight: | 203.19 |
Molecular Formula: | C11H9NO3 |
Canonical SMILES: | COC(=O)C1=C(C2=CC=CC=C2N1)C=O |
InChI: | InChI=1S/C11H9NO3/c1-15-11(14)10-8(6-13)7-4-2-3-5-9(7)12-10/h2-6,12H,1H3 |
InChI Key: | UUNXYIKVJPXHTO-UHFFFAOYSA-N |
Boiling Point: | 423.5 °C at 760 mmHg |
Density: | 1.341 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03848053 |
LogP: | 1.76700 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021143816-A1 | Fused imide derivative, preparation method therefor and medical use thereof | 20200116 |
CN-113121527-A | Tricyclic compound and use thereof | 20191231 |
US-2015031833-A1 | Formylpyrrole-based heterocycles for nucleic acid attachment to supports | 20110119 |
US-2016137677-A1 | Formylpyrrole-based heterocycles for nucleic acid attachment to supports | 20110119 |
US-8883764-B1 | Formylpyrrole-based heterocycles for nucleic acid attachment to supports | 20110119 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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