AG003SDO

6097-08-1 | 1H-​Isoindole-​1,​3(2H)​-​dione, 2-​(5-​hexyn-​1-​yl)​-

AG003SDO

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CAS Number	6097-08-1
Catalog Number	AG003SDO(AGN-PC-0KSTKO)
Chemical Name	1H-​Isoindole-​1,​3(2H)​-​dione, 2-​(5-​hexyn-​1-​yl)​-
IUPAC Name	2-hex-5-ynylisoindole-1,3-dione
InChI	InChI=1S/C14H13NO2/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14(15)17/h1,5-6,8-9H,3-4,7,10H2
InChI Key	WALVSJIWVWDFCU-UHFFFAOYSA-N
MDL Number	MFCD00671372
Molecular Formula	C14H13NO2
Molecular Weight	227.2585
SMILES	O=C1c2c(C(=O)N1CCCCC#C)cccc2
Synonyms	2-(hex-5-yn-1-yl)isoindoline-1,3-dione, 6097-08-1, N-(5-Hexynyl)phthalimide, 6-Phthalimido-1-hexyne, 2-hex-5-ynylisoindole-1,3-dione, ACMC-20akav, 2-(hex-5-ynyl)isoindoline-1,3-dione, AC1MOMRY, N-5-hexynylphthalimide, N-5-hexynyl phthalimide, N-Hex-5-ynylphthalimide, 6-Phthalimidyl-1-hexyne, SCHEMBL504643, CTK5B2497, DTXSID80391665, WALVSJIWVWDFCU-UHFFFAOYSA-N, KS-00001BB5, ZINC2567253, N-(5-Hexynyl)phthalimide, >=95%, AKOS015898135, FCH4692958, ABA-8850023, AK207685, BBV-57878834, AX8301893, TC-165982, CS-0036692, FT-0738025, 1H-Isoindole-1,3(2H)-dione, 2-(5-hexynyl)-, I10-1506, MFCD00671372, CID3346053,

Complexity	342
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.095g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.263g/mol
Monoisotopic Mass	227.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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