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29217-11-6 | Ethanone, 1-(1-methyl-1H-indol-3-yl)-, oxime, (1E)-
CAS No: 29217-11-6 Catalog No: AG002XR3 MDL No:
Product Description
Catalog Number:
AG002XR3
Chemical Name:
Ethanone, 1-(1-methyl-1H-indol-3-yl)-, oxime, (1E)-
CAS Number:
29217-11-6
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
(NE)-N-[1-(1-methylindol-3-yl)ethylidene]hydroxylamine
InChI:
InChI=1S/C11H12N2O/c1-8(12-14)10-7-13(2)11-6-4-3-5-9(10)11/h3-7,14H,1-2H3/b12-8+
InChI Key:
MNHXYEZCPRBAFD-XYOKQWHBSA-N
SMILES:
O/N=C(/c1cn(c2c1cccc2)C)\C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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