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27092-42-8

27092-42-8 | 1H-Indole-3-carboxaldehyde, 1-benzoyl-

CAS No: 27092-42-8 Catalog No: AG007LW9 MDL No:

Product Description

Catalog Number:
AG007LW9
Chemical Name:
1H-Indole-3-carboxaldehyde, 1-benzoyl-
CAS Number:
27092-42-8
Molecular Formula:
C16H11NO2
Molecular Weight:
249.2640
IUPAC Name:
1-benzoylindole-3-carbaldehyde
InChI:
InChI=1S/C16H11NO2/c18-11-13-10-17(15-9-5-4-8-14(13)15)16(19)12-6-2-1-3-7-12/h1-11H
InChI Key:
QMNJJAQYGLNGGN-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cccc2)C(=O)c1ccccc1
NSC Number:
628186

Properties

Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.079g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.269g/mol
Monoisotopic Mass:
249.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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