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Home > Indoles and Oxindole > 25830-77-7
25830-77-7 | (S);-2-(2,6-Dioxotetrahydro-2H-pyran-3-yl);isoindoline-1,3-dione
CAS No: 25830-77-7 Catalog No: AG003TRT MDL No:MFCD00067324
Product Description
Catalog Number:
AG003TRT
Chemical Name:
(S);-2-(2,6-Dioxotetrahydro-2H-pyran-3-yl);isoindoline-1,3-dione
CAS Number:
25830-77-7
Molecular Formula:
C13H9NO5
Molecular Weight:
259.2143
MDL Number:
MFCD00067324
IUPAC Name:
2-[(3S)-2,6-dioxooxan-3-yl]isoindole-1,3-dione
InChI:
InChI=1S/C13H9NO5/c15-10-6-5-9(13(18)19-10)14-11(16)7-3-1-2-4-8(7)12(14)17/h1-4,9H,5-6H2/t9-/m0/s1
InChI Key:
ICDLEMPZXFCQEB-VIFPVBQESA-N
SMILES:
O=C1CC[C@@H](C(=O)O1)N1C(=O)c2c(C1=O)cccc2
EC Number:
607-813-5
UNII:
ZN6U9B52ER
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
259.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.217g/mol
Monoisotopic Mass:
259.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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