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Home > Indoles and Oxindole > 59816-56-7
59816-56-7 | 1H-Indole, 2-(3,4-dimethoxyphenyl)-
CAS No: 59816-56-7 Catalog No: AG00IAM2 MDL No:MFCD05224913
Product Description
Catalog Number:
AG00IAM2
Chemical Name:
1H-Indole, 2-(3,4-dimethoxyphenyl)-
CAS Number:
59816-56-7
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
MDL Number:
MFCD05224913
IUPAC Name:
2-(3,4-dimethoxyphenyl)-1H-indole
InChI:
InChI=1S/C16H15NO2/c1-18-15-8-7-12(10-16(15)19-2)14-9-11-5-3-4-6-13(11)17-14/h3-10,17H,1-2H3
InChI Key:
PMXYCPOAEXWDOA-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1cc2c([nH]1)cccc2
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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