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Home > Indoles and Oxindole > 1609273-88-2
1609273-88-2 | 3,3,4-Trimethyl-1-(1-pentyl-1H-indol-3-yl)-4-penten-1-one
CAS No: 1609273-88-2 Catalog No: AG01E2HD MDL No:
Product Description
Catalog Number:
AG01E2HD
Chemical Name:
3,3,4-Trimethyl-1-(1-pentyl-1H-indol-3-yl)-4-penten-1-one
CAS Number:
1609273-88-2
Molecular Formula:
C21H29NO
Molecular Weight:
311.4611
IUPAC Name:
3,3,4-trimethyl-1-(1-pentylindol-3-yl)pent-4-en-1-one
InChI:
InChI=1S/C21H29NO/c1-6-7-10-13-22-15-18(17-11-8-9-12-19(17)22)20(23)14-21(4,5)16(2)3/h8-9,11-12,15H,2,6-7,10,13-14H2,1,3-5H3
InChI Key:
NBJHWTCAQOYUND-UHFFFAOYSA-N
SMILES:
CCCCCn1cc(c2c1cccc2)C(=O)CC(C(=C)C)(C)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.225g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.469g/mol
Monoisotopic Mass:
311.225g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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