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Home > Indoles and Oxindole > 76879-43-1
76879-43-1 | 2-(4-hydroxy-3-oxobutyl)-1H-isoindole-1,3(2H)-dione
CAS No: 76879-43-1 Catalog No: AG00JICU MDL No:MFCD21876300
Product Description
Catalog Number:
AG00JICU
Chemical Name:
2-(4-hydroxy-3-oxobutyl)-1H-isoindole-1,3(2H)-dione
CAS Number:
76879-43-1
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD21876300
IUPAC Name:
2-(4-hydroxy-3-oxobutyl)isoindole-1,3-dione
InChI:
InChI=1S/C12H11NO4/c14-7-8(15)5-6-13-11(16)9-3-1-2-4-10(9)12(13)17/h1-4,14H,5-7H2
InChI Key:
TUTXHWFIXWDNDP-UHFFFAOYSA-N
SMILES:
OCC(=O)CCN1C(=O)c2c(C1=O)cccc2
EC Number:
616-406-1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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