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850231-88-8 | Phosphonic acid, [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-, diethyl ester
CAS No: 850231-88-8 Catalog No: AG004TDT MDL No:
Product Description
Catalog Number:
AG004TDT
Chemical Name:
Phosphonic acid, [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-, diethyl ester
CAS Number:
850231-88-8
Molecular Formula:
C15H20NO4P
Molecular Weight:
309.2974
IUPAC Name:
2-diethoxyphosphoryl-1-(2-methyl-1H-indol-3-yl)ethanone
InChI:
InChI=1S/C15H20NO4P/c1-4-19-21(18,20-5-2)10-14(17)15-11(3)16-13-9-7-6-8-12(13)15/h6-9,16H,4-5,10H2,1-3H3
InChI Key:
JJRRGIKGSSEZID-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC(=O)c1c(C)[nH]c2c1cccc2)OCC
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.113g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.302g/mol
Monoisotopic Mass:
309.113g/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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