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116176-87-5 | Ethanone, 1-(5-methoxy-1-methyl-1H-indol-3-yl)-
CAS No: 116176-87-5 Catalog No: AG000BTV MDL No:
Product Description
Catalog Number:
AG000BTV
Chemical Name:
Ethanone, 1-(5-methoxy-1-methyl-1H-indol-3-yl)-
CAS Number:
116176-87-5
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
1-(5-methoxy-1-methylindol-3-yl)ethanone
InChI:
InChI=1S/C12H13NO2/c1-8(14)11-7-13(2)12-5-4-9(15-3)6-10(11)12/h4-7H,1-3H3
InChI Key:
YOOZSYHGSPBAGN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(cn2C)C(=O)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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