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88330-41-0

88330-41-0 | 1H-Indole-5,6-dicarbonitrile, 1-methyl-

CAS No: 88330-41-0 Catalog No: AG0047D1 MDL No:

Product Description

Catalog Number:
AG0047D1
Chemical Name:
1H-Indole-5,6-dicarbonitrile, 1-methyl-
CAS Number:
88330-41-0
Molecular Formula:
C11H7N3
Molecular Weight:
181.1934
IUPAC Name:
1-methylindole-5,6-dicarbonitrile
InChI:
InChI=1S/C11H7N3/c1-14-3-2-8-4-9(6-12)10(7-13)5-11(8)14/h2-5H,1H3
InChI Key:
OEEUPHVMINYMMS-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(cc1C#N)ccn2C

Properties

Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.064g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.198g/mol
Monoisotopic Mass:
181.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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