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491613-17-3 | Ethanone, 1-(1-ethenyl-1H-indol-3-yl)-
CAS No: 491613-17-3 Catalog No: AG00713D MDL No:
Product Description
Catalog Number:
AG00713D
Chemical Name:
Ethanone, 1-(1-ethenyl-1H-indol-3-yl)-
CAS Number:
491613-17-3
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
1-(1-ethenylindol-3-yl)ethanone
InChI:
InChI=1S/C12H11NO/c1-3-13-8-11(9(2)14)10-6-4-5-7-12(10)13/h3-8H,1H2,2H3
InChI Key:
SAHMZWUKZCYVCW-UHFFFAOYSA-N
SMILES:
C=Cn1cc(c2c1cccc2)C(=O)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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