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162896-21-1 | Propanedioic acid, 2-[(1R)-1-(1H-indol-3-yl)ethyl]-, 1,3-diethyl ester
CAS No: 162896-21-1 Catalog No: AG001TIU MDL No:
Product Description
Catalog Number:
AG001TIU
Chemical Name:
Propanedioic acid, 2-[(1R)-1-(1H-indol-3-yl)ethyl]-, 1,3-diethyl ester
CAS Number:
162896-21-1
Molecular Formula:
C17H21NO4
Molecular Weight:
303.3529
IUPAC Name:
diethyl 2-[(1R)-1-(1H-indol-3-yl)ethyl]propanedioate
InChI:
InChI=1S/C17H21NO4/c1-4-21-16(19)15(17(20)22-5-2)11(3)13-10-18-14-9-7-6-8-12(13)14/h6-11,15,18H,4-5H2,1-3H3/t11-/m0/s1
InChI Key:
FSJVGVXZJVQTIF-NSHDSACASA-N
SMILES:
CCOC(=O)C([C@H](c1c[nH]c2c1cccc2)C)C(=O)OCC
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
303.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.358g/mol
Monoisotopic Mass:
303.147g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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