5,6-Methylenedioxyindole - CAS 267-48-1
Catalog: |
BB054367 |
Product Name: |
5,6-Methylenedioxyindole |
CAS: |
267-48-1 |
Synonyms: |
5H-[1,3]dioxolo[4,5-f]indole |
IUPAC Name: | 5H-[1,3]dioxolo[4,5-f]indole |
Molecular Weight: | 161.16 |
Molecular Formula: | C9H7NO2 |
Canonical SMILES: | C1OC2=C(O1)C=C3C(=C2)C=CN3 |
InChI: | InChI=1S/C9H7NO2/c1-2-10-7-4-9-8(3-6(1)7)11-5-12-9/h1-4,10H,5H2 |
InChI Key: | HXCHORPNRVSDCD-UHFFFAOYSA-N |
Boiling Point: | 334.7±11.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.047678466 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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