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67909-99-3 | Carbamic acid, [2-(1H-indol-3-yl)ethyl]-, ethyl ester
CAS No: 67909-99-3 Catalog No: AG005OV3 MDL No:MFCD21145631
Product Description
Catalog Number:
AG005OV3
Chemical Name:
Carbamic acid, [2-(1H-indol-3-yl)ethyl]-, ethyl ester
CAS Number:
67909-99-3
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD21145631
IUPAC Name:
ethyl N-[2-(1H-indol-3-yl)ethyl]carbamate
InChI:
InChI=1S/C13H16N2O2/c1-2-17-13(16)14-8-7-10-9-15-12-6-4-3-5-11(10)12/h3-6,9,15H,2,7-8H2,1H3,(H,14,16)
InChI Key:
LLSIXJRIBKKKIR-UHFFFAOYSA-N
SMILES:
CCOC(=O)NCCc1c[nH]c2c1cccc2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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