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92855-64-6 | 6-Benzyloxyindole-3-carbaldehyde
CAS No: 92855-64-6 Catalog No: AG006KZ9 MDL No:MFCD00056931
Product Description
Catalog Number:
AG006KZ9
Chemical Name:
6-Benzyloxyindole-3-carbaldehyde
CAS Number:
92855-64-6
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
MDL Number:
MFCD00056931
IUPAC Name:
6-phenylmethoxy-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C16H13NO2/c18-10-13-9-17-16-8-14(6-7-15(13)16)19-11-12-4-2-1-3-5-12/h1-10,17H,11H2
InChI Key:
UUKFCVCTRWNXBI-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1ccc(c2)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:
3.1
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