6-Methoxy-1H-indole-3-carbaldehyde - CAS 70555-46-3
Catalog: |
BB034177 |
Product Name: |
6-Methoxy-1H-indole-3-carbaldehyde |
CAS: |
70555-46-3 |
Synonyms: |
6-methoxy-1H-indole-3-carboxaldehyde; 6-methoxy-1H-indole-3-carbaldehyde |
IUPAC Name: | 6-methoxy-1H-indole-3-carbaldehyde |
Description: | 6-Methoxy-1H-indole-3-carbaldehyde (CAS# 70555-46-3) is a building block used in various chemical synthesis. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | COC1=CC2=C(C=C1)C(=CN2)C=O |
InChI: | InChI=1S/C10H9NO2/c1-13-8-2-3-9-7(6-12)5-11-10(9)4-8/h2-6,11H,1H3 |
InChI Key: | JTEFJNIWWXTBMP-UHFFFAOYSA-N |
Boiling Point: | 375.2 ℃ |
Melting Point: | 103-107 ℃ |
Purity: | 98 % |
Density: | 1.273 g/cm3 |
Appearance: | Yellow to brown powder |
MDL: | MFCD03848058 |
LogP: | 1.98900 |
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 |
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Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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