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Home > Indoles and Oxindole > 481668-37-5
481668-37-5 | 3-CYANO-5-METHOXY-2-METHYLINDOLE
CAS No: 481668-37-5 Catalog No: AG006WYX MDL No:
Product Description
Catalog Number:
AG006WYX
Chemical Name:
3-CYANO-5-METHOXY-2-METHYLINDOLE
CAS Number:
481668-37-5
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
5-methoxy-2-methyl-1H-indole-3-carbonitrile
InChI:
InChI=1S/C11H10N2O/c1-7-10(6-12)9-5-8(14-2)3-4-11(9)13-7/h3-5,13H,1-2H3
InChI Key:
WFANMANNCRDQIA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C#N)c([nH]2)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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