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Home > Indoles and Oxindole > 176688-98-5
176688-98-5 | 1H-Indole-3-acetonitrile, 5-methoxy-1-methyl-
CAS No: 176688-98-5 Catalog No: AG0024TH MDL No:
Product Description
Catalog Number:
AG0024TH
Chemical Name:
1H-Indole-3-acetonitrile, 5-methoxy-1-methyl-
CAS Number:
176688-98-5
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
2-(5-methoxy-1-methylindol-3-yl)acetonitrile
InChI:
InChI=1S/C12H12N2O/c1-14-8-9(5-6-13)11-7-10(15-2)3-4-12(11)14/h3-4,7-8H,5H2,1-2H3
InChI Key:
PZPFLMOOTACHJO-UHFFFAOYSA-N
SMILES:
N#CCc1cn(c2c1cc(OC)cc2)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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