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Home > Indoles and Oxindole > 820965-42-2
820965-42-2 | 3-Buten-2-one, 4-[3-(1,1-dimethyl-2-propenyl)-1H-indol-5-yl]-
CAS No: 820965-42-2 Catalog No: AG0052I5 MDL No:
Product Description
Catalog Number:
AG0052I5
Chemical Name:
3-Buten-2-one, 4-[3-(1,1-dimethyl-2-propenyl)-1H-indol-5-yl]-
CAS Number:
820965-42-2
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
IUPAC Name:
4-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]but-3-en-2-one
InChI:
InChI=1S/C17H19NO/c1-5-17(3,4)15-11-18-16-9-8-13(10-14(15)16)7-6-12(2)19/h5-11,18H,1H2,2-4H3
InChI Key:
SHHUYJLTOWPMMY-UHFFFAOYSA-N
SMILES:
C=CC(c1c[nH]c2c1cc(C=CC(=O)C)cc2)(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.345g/mol
Monoisotopic Mass:
253.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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