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Home > Indoles and Oxindole > 1785761-56-9
1785761-56-9 | 2-(2,3-Dihydroxy-3-methylbutyl)-1H-isoindole-1,3(2H)-dione
CAS No: 1785761-56-9 Catalog No: AG00HZV9 MDL No:MFCD26792681
Product Description
Catalog Number:
AG00HZV9
Chemical Name:
2-(2,3-Dihydroxy-3-methylbutyl)-1H-isoindole-1,3(2H)-dione
CAS Number:
1785761-56-9
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
MDL Number:
MFCD26792681
IUPAC Name:
2-(2,3-dihydroxy-3-methylbutyl)isoindole-1,3-dione
InChI:
InChI=1S/C13H15NO4/c1-13(2,18)10(15)7-14-11(16)8-5-3-4-6-9(8)12(14)17/h3-6,10,15,18H,7H2,1-2H3
InChI Key:
AKILRTMGKKCEBP-UHFFFAOYSA-N
SMILES:
OC(C(O)(C)C)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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