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1253789-90-0 | 1H-Indole-6-carboxylic acid, 3-cyclopentyl-1-methyl-, 1-methylethyl ester
CAS No: 1253789-90-0 Catalog No: AG000NL1 MDL No:MFCD13194676
Product Description
Catalog Number:
AG000NL1
Chemical Name:
1H-Indole-6-carboxylic acid, 3-cyclopentyl-1-methyl-, 1-methylethyl ester
CAS Number:
1253789-90-0
Molecular Formula:
C18H23NO2
Molecular Weight:
285.3807
MDL Number:
MFCD13194676
IUPAC Name:
propan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate
InChI:
InChI=1S/C18H23NO2/c1-12(2)21-18(20)14-8-9-15-16(13-6-4-5-7-13)11-19(3)17(15)10-14/h8-13H,4-7H2,1-3H3
InChI Key:
UQQPAWZVYVDUQH-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1ccc2c(c1)n(C)cc2C1CCCC1)C
EC Number:
935-121-6
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.387g/mol
Monoisotopic Mass:
285.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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