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Home > Indoles and Oxindole > 15109-37-2
15109-37-2 | 1H-Indole-3-acetonitrile, 4,7-dimethoxy-
CAS No: 15109-37-2 Catalog No: AG001N2T MDL No:
Product Description
Catalog Number:
AG001N2T
Chemical Name:
1H-Indole-3-acetonitrile, 4,7-dimethoxy-
CAS Number:
15109-37-2
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
2-(4,7-dimethoxy-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C12H12N2O2/c1-15-9-3-4-10(16-2)12-11(9)8(5-6-13)7-14-12/h3-4,7,14H,5H2,1-2H3
InChI Key:
FNWXIEDNCPOANK-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1c(OC)ccc2OC
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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