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Home > Indoles and Oxindole > 212061-20-6
212061-20-6 | 1H-Isoindole-1,3(2H)-dione, 2-[(5,6-dihydroxyhexyl)oxy]-
CAS No: 212061-20-6 Catalog No: AG006YL4 MDL No:
Product Description
Catalog Number:
AG006YL4
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(5,6-dihydroxyhexyl)oxy]-
CAS Number:
212061-20-6
Molecular Formula:
C14H17NO5
Molecular Weight:
279.2885
IUPAC Name:
2-(5,6-dihydroxyhexoxy)isoindole-1,3-dione
InChI:
InChI=1S/C14H17NO5/c16-9-10(17)5-3-4-8-20-15-13(18)11-6-1-2-7-12(11)14(15)19/h1-2,6-7,10,16-17H,3-5,8-9H2
InChI Key:
UEKNLCABUSNREE-UHFFFAOYSA-N
SMILES:
OCC(CCCCON1C(=O)c2c(C1=O)cccc2)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.292g/mol
Monoisotopic Mass:
279.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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