3-Formyl-1H-indole-6-carboxylic acid - CAS 887576-06-9
Catalog: |
BB044535 |
Product Name: |
3-Formyl-1H-indole-6-carboxylic acid |
CAS: |
887576-06-9 |
Synonyms: |
1H-Indole-6-carboxylic acid, 3-formyl-; 3-formyl-indole-6-carboxylic acid |
IUPAC Name: | 3-formyl-1H-indole-6-carboxylic acid |
Description: | 3-Formyl-1H-indole-6-carboxylic acid (CAS# 887576-06-9 ) is a useful research chemical. |
Molecular Weight: | 189.17 |
Molecular Formula: | C10H7NO3 |
Canonical SMILES: | C1=CC2=C(C=C1C(=O)O)NC=C2C=O |
InChI: | InChI=1S/C10H7NO3/c12-5-7-4-11-9-3-6(10(13)14)1-2-8(7)9/h1-5,11H,(H,13,14) |
InChI Key: | SZRGKSIBZRFCBG-UHFFFAOYSA-N |
Boiling Point: | 496.9±25.0 °C at 760 mmHg |
Purity: | ≥ 95 % by HPLC |
Density: | 1.5±0.1 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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