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Home > Indoles and Oxindole > 99337-98-1
99337-98-1 | 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione
CAS No: 99337-98-1 Catalog No: AG006O96 MDL No:MFCD08460972
Product Description
Catalog Number:
AG006O96
Chemical Name:
2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione
CAS Number:
99337-98-1
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
MDL Number:
MFCD08460972
IUPAC Name:
2-(4-hydroxycyclohexyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H15NO3/c16-10-7-5-9(6-8-10)15-13(17)11-3-1-2-4-12(11)14(15)18/h1-4,9-10,16H,5-8H2
InChI Key:
YLHCMDNAKVPTIO-UHFFFAOYSA-N
SMILES:
O[C@@H]1CC[C@H](CC1)N1C(=O)c2c(C1=O)cccc2
NSC Number:
150048
Properties
Complexity:
336
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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