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97945-27-2 | 2-(2-Phenyl-1H-indol-3-yl)acetaldehyde
CAS No: 97945-27-2 Catalog No: AG006AKA MDL No:MFCD06739039
Product Description
Catalog Number:
AG006AKA
Chemical Name:
2-(2-Phenyl-1H-indol-3-yl)acetaldehyde
CAS Number:
97945-27-2
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
MDL Number:
MFCD06739039
IUPAC Name:
2-(2-phenyl-1H-indol-3-yl)acetaldehyde
InChI:
InChI=1S/C16H13NO/c18-11-10-14-13-8-4-5-9-15(13)17-16(14)12-6-2-1-3-7-12/h1-9,11,17H,10H2
InChI Key:
YFPBRFBNKDLVNJ-UHFFFAOYSA-N
SMILES:
O=CCc1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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