AG006O96

99337-98-1 | 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione

AG006O96

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CAS Number	99337-98-1
Catalog Number	AG006O96(AGN-PC-0W98PP)
Chemical Name	2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione
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
MDL Number	MFCD08460972
Molecular Formula	C14H15NO3
Molecular Weight	245.2738
NSC Number	150048
SMILES	O=C1N([C@H]2CC[C@H](O)CC2)C(C3=C1C=CC=C3)=O
Synonyms	99337-98-1, 104618-31-7, 2-(4-hydroxycyclohexyl)isoindoline-1,3-dione, 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione, 4-(Phthalimide)cyclohexanol, 2-(trans-4-Hydroxycyclohexyl)-1H-isoindole-1,3(2H)-dione, TRANS-2-(4-HYDROXY-CYCLOHEXYL)-ISOINDOLE-1,3-DIONE, 2-(4-hydroxycyclohexyl)-1h-isoindole-1,3(2h)-dione, 2-(4-hydroxycyclohexyl)isoindole-1,3-dione, 2-(4-Hydroxy-cyclohexyl)-isoindole-1,3-dione, 2-((1r,4r)-4-hydroxycyclohexyl)isoindoline-1,3-dione, trans-N-(4-Hydroxycyclohexyl)phthalimide, 2-(4-hydroxycyclohexyl)-2,3-dihydro-1H-isoindole-1,3-dione, trans-2-(4-hydroxycyclohexyl)-isoindole-1,3-dione, NSC150048, 4-phthalimido cyclohexanol, 4-(phthalimido)cyclohexanol, AC1L6A6G, 4 (phthalimide) Cyclohexanol, 4-(phthalimido)-cyclohexanol, trans-2-(4-Hydroxycyclohexyl)isoindole-1,3-dione, SCHEMBL240719, SCHEMBL600594, SCHEMBL1065078, SCHEMBL1754951, SCHEMBL14923235, CTK5I0344, CTK7J9383, HIN1433, YLHCMDNAKVPTIO-AOOOYVTPSA-N, YLHCMDNAKVPTIO-MGCOHNPYSA-N, YLHCMDNAKVPTIO-UHFFFAOYSA-N, KS-00000Q4J, ZINC1744617, ANW-46438, CH-352, MFCD08460972, MFCD09842279, AKOS010457236, AKOS015969539, ZINC100007877, ZINC115151222, DS-8178, IMED1796600739, NE47545, NSC-150048, VI30157, trans n-(4-hydroxycyclohexyl)phthalimide, AC-27003, AJ-31404, AK-86179, AK154720, AN-33956, AS-37860, DA-19481, SC-14928, ST2416268, TX-018088, CS-0033231, FT-0616427, W9865, 2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione, X-1787, 618P317, 2-(trans-4-hydroxy-cyclohexyl)-isoindole-1,3-dione, 2-(trans-4-hydroxycyclohexyl)-isoindole-1,3-dione, S05-0195, 2-((trans)-4-Hydroxycyclohexyl)isoindoline-1,3-dione, 2-(trans-4-hydroxycyclohexyl)-1H-Isoindole-1,3(2H), 2-((1R,4R)-4-hydroxycyclohexyl) isoindoline-1,3-dione, 2-((1r, 4r)-4-hydroxycyclohexyl) isoindoline-1,3-dione, 2-(trans-4-hydroxycyclohexyl)-1H-isoindole-1.3(2H)-dione, cis-2-(4-hydroxycyclohexyl)-1H-isoindole-1,3(2H)-dione, trans-2-(4-hydroxycyclohexyl)-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione,2-(trans-4-hydroxycyclohexyl)-, C14H15NO3, CID288726,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number