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175733-90-1 | 1H-Indole-3-acetic acid, 5-[[(5S)-2-oxo-5-oxazolidinyl]methyl]-
CAS No: 175733-90-1 Catalog No: AG002152 MDL No:
Product Description
Catalog Number:
AG002152
Chemical Name:
1H-Indole-3-acetic acid, 5-[[(5S)-2-oxo-5-oxazolidinyl]methyl]-
CAS Number:
175733-90-1
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
IUPAC Name:
2-[5-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1H-indol-3-yl]acetic acid
InChI:
InChI=1S/C14H14N2O4/c17-13(18)5-9-6-15-12-2-1-8(4-11(9)12)3-10-7-16-14(19)20-10/h1-2,4,6,10,15H,3,5,7H2,(H,16,19)(H,17,18)/t10-/m0/s1
InChI Key:
GXKJYTVTVYYFGL-JTQLQIEISA-N
SMILES:
OC(=O)Cc1c[nH]c2c1cc(cc2)C[C@H]1CNC(=O)O1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
274.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
274.276g/mol
Monoisotopic Mass:
274.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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