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Home > Indoles and Oxindole > 202479-02-5
202479-02-5 | 1H-Isoindole-1,3(2H)-dione, 2-(3-hydroxycyclohexyl)-
CAS No: 202479-02-5 Catalog No: AG00I3SR MDL No:MFCD00158640
Product Description
Catalog Number:
AG00I3SR
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3-hydroxycyclohexyl)-
CAS Number:
202479-02-5
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
MDL Number:
MFCD00158640
IUPAC Name:
2-(3-hydroxycyclohexyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H15NO3/c16-10-5-3-4-9(8-10)15-13(17)11-6-1-2-7-12(11)14(15)18/h1-2,6-7,9-10,16H,3-5,8H2
InChI Key:
FBLDVWHNOYBREN-UHFFFAOYSA-N
SMILES:
OC1CCCC(C1)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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