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89159-83-1 | Carbamic acid, [2-(1H-indol-3-yl)-1-methylethyl]-, methyl ester
CAS No: 89159-83-1 Catalog No: AG003WY8 MDL No:
Product Description
Catalog Number:
AG003WY8
Chemical Name:
Carbamic acid, [2-(1H-indol-3-yl)-1-methylethyl]-, methyl ester
CAS Number:
89159-83-1
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
methyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate
InChI:
InChI=1S/C13H16N2O2/c1-9(15-13(16)17-2)7-10-8-14-12-6-4-3-5-11(10)12/h3-6,8-9,14H,7H2,1-2H3,(H,15,16)
InChI Key:
FZXXTZQPPDGKAH-UHFFFAOYSA-N
SMILES:
COC(=O)NC(Cc1c[nH]c2c1cccc2)C
Properties
Complexity:
270
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:
4
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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