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Home > Indoles and Oxindole > 113712-49-5
113712-49-5 | 1H-Isoindol-1-one, 2,3-dihydro-5-hydroxy-2-(2-hydroxyethyl)-
CAS No: 113712-49-5 Catalog No: AG0009FY MDL No:
Product Description
Catalog Number:
AG0009FY
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-5-hydroxy-2-(2-hydroxyethyl)-
CAS Number:
113712-49-5
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
IUPAC Name:
5-hydroxy-2-(2-hydroxyethyl)-3H-isoindol-1-one
InChI:
InChI=1S/C10H11NO3/c12-4-3-11-6-7-5-8(13)1-2-9(7)10(11)14/h1-2,5,12-13H,3-4,6H2
InChI Key:
AQGRHEAQDYBOSS-UHFFFAOYSA-N
SMILES:
OCCN1Cc2c(C1=O)ccc(c2)O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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