Methyl indoline-6-carboxylate - CAS 341988-36-1
Catalog: |
BB046675 |
Product Name: |
Methyl indoline-6-carboxylate |
CAS: |
341988-36-1 |
Synonyms: |
2,3-Dihydro-1H-indole-6-carboxylic acid methyl ester; 6-Methoxycarbonyl-2,3-dihydro-1H-indole; Methylindoline-6-carboxylate; 1H-Indole-6-carboxylic acid, 2,3-dihydro-, methyl ester; 6-methoxycarbonylindoline |
IUPAC Name: | methyl 2,3-dihydro-1H-indole-6-carboxylate |
Description: | Methyl indoline-6-carboxylate (CAS# 341988-36-1 ) is a useful research chemical. |
Molecular Weight: | 177.20 |
Molecular Formula: | C10H11NO2 |
Canonical SMILES: | COC(=O)C1=CC2=C(CCN2)C=C1 |
InChI: | InChI=1S/C10H11NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-3,6,11H,4-5H2,1H3 |
InChI Key: | IVFIWGSRKYSLLR-UHFFFAOYSA-N |
Boiling Point: | 315.6 °C at 760 mmHg |
Purity: | > 95 % |
Density: | 1.162 g/cm3 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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