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Home > Indoles and Oxindole > 113618-02-3
113618-02-3 | 2-Penten-1-one, 1-(1H-indol-3-yl)-4-methyl-
CAS No: 113618-02-3 Catalog No: AG00096C MDL No:
Product Description
Catalog Number:
AG00096C
Chemical Name:
2-Penten-1-one, 1-(1H-indol-3-yl)-4-methyl-
CAS Number:
113618-02-3
Molecular Formula:
C14H15NO
Molecular Weight:
213.2750
IUPAC Name:
1-(1H-indol-3-yl)-4-methylpent-2-en-1-one
InChI:
InChI=1S/C14H15NO/c1-10(2)7-8-14(16)12-9-15-13-6-4-3-5-11(12)13/h3-10,15H,1-2H3
InChI Key:
IDQUUMXZMJZEOX-UHFFFAOYSA-N
SMILES:
CC(C=CC(=O)c1c[nH]c2c1cccc2)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.28g/mol
Monoisotopic Mass:
213.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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