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7042-71-9 | 4-Benzyloxyindole-3-carbaldehyde
CAS No: 7042-71-9 Catalog No: AG003KTQ MDL No:MFCD00152002
Product Description
Catalog Number:
AG003KTQ
Chemical Name:
4-Benzyloxyindole-3-carbaldehyde
CAS Number:
7042-71-9
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
MDL Number:
MFCD00152002
IUPAC Name:
4-phenylmethoxy-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C16H13NO2/c18-10-13-9-17-14-7-4-8-15(16(13)14)19-11-12-5-2-1-3-6-12/h1-10,17H,11H2
InChI Key:
WURDDLFAUSUSLT-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(ccc2)OCc1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Synthetic studies of psilocin analogs having either a formyl group or bromine atom at the 5- or 7-position. | Chemical & pharmaceutical bulletin 20020101 |
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