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Home > Indoles and Oxindole > 1630022-97-7
1630022-97-7 | 3-(3,3,4-trimethyl-1-oxo-4-penten-1-yl)-1H-indole-1-pentanoicacid
CAS No: 1630022-97-7 Catalog No: AG01EP2Z MDL No:
Product Description
Catalog Number:
AG01EP2Z
Chemical Name:
3-(3,3,4-trimethyl-1-oxo-4-penten-1-yl)-1H-indole-1-pentanoicacid
CAS Number:
1630022-97-7
Molecular Formula:
C21H27NO3
Molecular Weight:
341.4440
IUPAC Name:
5-[3-(3,3,4-trimethylpent-4-enoyl)indol-1-yl]pentanoic acid
InChI:
InChI=1S/C21H27NO3/c1-15(2)21(3,4)13-19(23)17-14-22(12-8-7-11-20(24)25)18-10-6-5-9-16(17)18/h5-6,9-10,14H,1,7-8,11-13H2,2-4H3,(H,24,25)
InChI Key:
HPKJJMLBDDTMFT-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCn1cc(c2c1cccc2)C(=O)CC(C(=C)C)(C)C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.199g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.451g/mol
Monoisotopic Mass:
341.199g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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