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850231-86-6 | Diethyl (2-(1H-indol-3-yl);-2-oxoethyl);phosphonate
CAS No: 850231-86-6 Catalog No: AG0050OP MDL No:MFCD09839792
Product Description
Catalog Number:
AG0050OP
Chemical Name:
Diethyl (2-(1H-indol-3-yl);-2-oxoethyl);phosphonate
CAS Number:
850231-86-6
Molecular Formula:
C14H18NO4P
Molecular Weight:
295.2708
MDL Number:
MFCD09839792
IUPAC Name:
2-diethoxyphosphoryl-1-(1H-indol-3-yl)ethanone
InChI:
InChI=1S/C14H18NO4P/c1-3-18-20(17,19-4-2)10-14(16)12-9-15-13-8-6-5-7-11(12)13/h5-9,15H,3-4,10H2,1-2H3
InChI Key:
PGMJTAAMJLMNGE-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC(=O)c1c[nH]c2c1cccc2)OCC
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.097g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.275g/mol
Monoisotopic Mass:
295.097g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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