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67996-15-0 | ethyl 3-(1H-indol-3-yl)butanoate
CAS No: 67996-15-0 Catalog No: AG01BFN1 MDL No:MFCD28118658
Product Description
Catalog Number:
AG01BFN1
Chemical Name:
ethyl 3-(1H-indol-3-yl)butanoate
CAS Number:
67996-15-0
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD28118658
IUPAC Name:
ethyl 3-(1H-indol-3-yl)butanoate
InChI:
InChI=1S/C14H17NO2/c1-3-17-14(16)8-10(2)12-9-15-13-7-5-4-6-11(12)13/h4-7,9-10,15H,3,8H2,1-2H3
InChI Key:
DOABEWVYDYLWIK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(c1c[nH]c2c1cccc2)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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