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121626-34-4 | 1H-Indole-3-carboxylic acid, 4,5,6,7-tetrahydro-6,6-dimethyl-1-(2-methylpropyl)-4-oxo-
CAS No: 121626-34-4 Catalog No: AG0015FZ MDL No:
Product Description
Catalog Number:
AG0015FZ
Chemical Name:
1H-Indole-3-carboxylic acid, 4,5,6,7-tetrahydro-6,6-dimethyl-1-(2-methylpropyl)-4-oxo-
CAS Number:
121626-34-4
Molecular Formula:
C15H21NO3
Molecular Weight:
263.3321
IUPAC Name:
6,6-dimethyl-1-(2-methylpropyl)-4-oxo-5,7-dihydroindole-3-carboxylic acid
InChI:
InChI=1S/C15H21NO3/c1-9(2)7-16-8-10(14(18)19)13-11(16)5-15(3,4)6-12(13)17/h8-9H,5-7H2,1-4H3,(H,18,19)
InChI Key:
RODRBVVOCBWAIX-UHFFFAOYSA-N
SMILES:
CC(Cn1cc(c2c1CC(C)(C)CC2=O)C(=O)O)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.337g/mol
Monoisotopic Mass:
263.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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