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4771-50-0

4771-50-0 | 7-Methylindole-3-carboxyaldehyde

CAS No: 4771-50-0 Catalog No: AG003NGL MDL No:MFCD00047170

Product Description

Catalog Number:
AG003NGL
Chemical Name:
7-Methylindole-3-carboxyaldehyde
CAS Number:
4771-50-0
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD00047170
IUPAC Name:
7-methyl-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C10H9NO/c1-7-3-2-4-9-8(6-12)5-11-10(7)9/h2-6,11H,1H3
InChI Key:
KTUFZHVVJBHGKZ-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cccc2C
NSC Number:
91539

Properties

Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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