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Home > Indoles and Oxindole > 123217-72-1
123217-72-1 | 3-Buten-2-one, 4-(1H-indol-2-yl)-, (3Z)-
CAS No: 123217-72-1 Catalog No: AG000K6Q MDL No:
Product Description
Catalog Number:
AG000K6Q
Chemical Name:
3-Buten-2-one, 4-(1H-indol-2-yl)-, (3Z)-
CAS Number:
123217-72-1
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
4-(1H-indol-2-yl)but-3-en-2-one
InChI:
InChI=1S/C12H11NO/c1-9(14)6-7-11-8-10-4-2-3-5-12(10)13-11/h2-8,13H,1H3
InChI Key:
KOKGNUYOCCXQRV-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C\c1cc2c([nH]1)cccc2
Properties
Complexity:
247
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:
1
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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