Benzyl 3-formyl-1H-indole-5-carboxylate - CAS 1071973-79-9
Catalog: |
BB044549 |
Product Name: |
Benzyl 3-formyl-1H-indole-5-carboxylate |
CAS: |
1071973-79-9 |
Synonyms: |
3-Formyl-1H-indole-5-carboxylic acid benzyl ester; 1H-Indole-5-carboxylic acid, 3-formyl-, phenylmethyl ester |
IUPAC Name: | benzyl 3-formyl-1H-indole-5-carboxylate |
Description: | Benzyl 3-formyl-1H-indole-5-carboxylate (CAS# 1071973-79-9 ) is a useful research chemical. |
Molecular Weight: | 279.29 |
Molecular Formula: | C17H13NO3 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)NC=C3C=O |
InChI: | InChI=1S/C17H13NO3/c19-10-14-9-18-16-7-6-13(8-15(14)16)17(20)21-11-12-4-2-1-3-5-12/h1-10,18H,11H2 |
InChI Key: | FWSHTYKCIRCIAY-UHFFFAOYSA-N |
Boiling Point: | 503.3±35.0 °C (Predicted) |
Purity: | 98 % |
Density: | 1.316±0.06 g/cm3 |
Complexity: | 378 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.08954328 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 59.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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