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Home > Aldehydes > 887576-00-3
887576-00-3 | 7-BENZYLOXYMETHYL-1H-INDOLE-3-CARBALDEHYDE
CAS No: 887576-00-3 Catalog No: AG004CI0 MDL No:
Product Description
Catalog Number:
AG004CI0
Chemical Name:
7-BENZYLOXYMETHYL-1H-INDOLE-3-CARBALDEHYDE
CAS Number:
887576-00-3
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
IUPAC Name:
7-(phenylmethoxymethyl)-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C17H15NO2/c19-10-15-9-18-17-14(7-4-8-16(15)17)12-20-11-13-5-2-1-3-6-13/h1-10,18H,11-12H2
InChI Key:
MTOISQKFJKXWST-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cccc2COCc1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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