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73053-98-2 | Carbamic acid, [2-(1H-indol-3-yl)-2-oxoethyl]-, phenylmethyl ester
CAS No: 73053-98-2 Catalog No: AG005YQ0 MDL No:
Product Description
Catalog Number:
AG005YQ0
Chemical Name:
Carbamic acid, [2-(1H-indol-3-yl)-2-oxoethyl]-, phenylmethyl ester
CAS Number:
73053-98-2
Molecular Formula:
C18H16N2O3
Molecular Weight:
308.3312
IUPAC Name:
benzyl N-[2-(1H-indol-3-yl)-2-oxoethyl]carbamate
InChI:
InChI=1S/C18H16N2O3/c21-17(15-10-19-16-9-5-4-8-14(15)16)11-20-18(22)23-12-13-6-2-1-3-7-13/h1-10,19H,11-12H2,(H,20,22)
InChI Key:
OOMWPOLYLKNJOQ-UHFFFAOYSA-N
SMILES:
O=C(NCC(=O)c1c[nH]c2c1cccc2)OCc1ccccc1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.337g/mol
Monoisotopic Mass:
308.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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