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68384-90-7 | Carbamic acid, ethyl-, (1-methyl-1H-indol-3-yl)methyl ester
CAS No: 68384-90-7 Catalog No: AG006KSW MDL No:
Product Description
Catalog Number:
AG006KSW
Chemical Name:
Carbamic acid, ethyl-, (1-methyl-1H-indol-3-yl)methyl ester
CAS Number:
68384-90-7
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
(1-methylindol-3-yl)methyl N-ethylcarbamate
InChI:
InChI=1S/C13H16N2O2/c1-3-14-13(16)17-9-10-8-15(2)12-7-5-4-6-11(10)12/h4-8H,3,9H2,1-2H3,(H,14,16)
InChI Key:
ALEIJKVYVQJFAV-UHFFFAOYSA-N
SMILES:
CCNC(=O)OCc1cn(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:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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