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135328-50-6 | 7-(CYANOMETHOXY)INDOLE
CAS No: 135328-50-6 Catalog No: AG007ZML MDL No:
Product Description
Catalog Number:
AG007ZML
Chemical Name:
7-(CYANOMETHOXY)INDOLE
CAS Number:
135328-50-6
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
IUPAC Name:
2-(1H-indol-7-yloxy)acetonitrile
InChI:
InChI=1S/C10H8N2O/c11-5-7-13-9-3-1-2-8-4-6-12-10(8)9/h1-4,6,12H,7H2
InChI Key:
BFLZDIZKCIZTFL-UHFFFAOYSA-N
SMILES:
N#CCOc1cccc2c1[nH]cc2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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