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88368-97-2 | Carbamic acid, [2-(1-acetyl-1H-indol-3-yl)ethyl]-, methyl ester
CAS No: 88368-97-2 Catalog No: AG004G19 MDL No:
Product Description
Catalog Number:
AG004G19
Chemical Name:
Carbamic acid, [2-(1-acetyl-1H-indol-3-yl)ethyl]-, methyl ester
CAS Number:
88368-97-2
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
IUPAC Name:
methyl N-[2-(1-acetylindol-3-yl)ethyl]carbamate
InChI:
InChI=1S/C14H16N2O3/c1-10(17)16-9-11(7-8-15-14(18)19-2)12-5-3-4-6-13(12)16/h3-6,9H,7-8H2,1-2H3,(H,15,18)
InChI Key:
ICGFHLYLZVBNQS-UHFFFAOYSA-N
SMILES:
COC(=O)NCCc1cn(c2c1cccc2)C(=O)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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