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152153-01-0 | (S)-4-((1H-Indol-3-yl)methyl)oxazolidin-2-one
CAS No: 152153-01-0 Catalog No: AG006UC8 MDL No:MFCD01076165
Product Description
Catalog Number:
AG006UC8
Chemical Name:
(S)-4-((1H-Indol-3-yl)methyl)oxazolidin-2-one
CAS Number:
152153-01-0
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD01076165
IUPAC Name:
(4S)-4-(1H-indol-3-ylmethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H12N2O2/c15-12-14-9(7-16-12)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13H,5,7H2,(H,14,15)/t9-/m0/s1
InChI Key:
LGXHODFXCOIGGJ-VIFPVBQESA-N
SMILES:
O=C1OC[C@@H](N1)Cc1c[nH]c2c1cccc2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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