AG00ASU5

17170-26-2 | 2-(7-Octyn-1-yl)-1H-isoindole-1,3-dione

AG00ASU5

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CAS Number	17170-26-2
Catalog Number	AG00ASU5(AGN-PC-0WA57Q)
Chemical Name	2-(7-Octyn-1-yl)-1H-isoindole-1,3-dione
IUPAC Name	2-oct-7-ynylisoindole-1,3-dione
InChI	InChI=1S/C16H17NO2/c1-2-3-4-5-6-9-12-17-15(18)13-10-7-8-11-14(13)16(17)19/h1,7-8,10-11H,3-6,9,12H2
InChI Key	XQFWQWUIBPUXLG-UHFFFAOYSA-N
MDL Number	MFCD18325177
Molecular Formula	C16H17NO2
Molecular Weight	255.3117
SMILES	C#CCCCCCCN1C(=O)c2c(C1=O)cccc2
Synonyms	2-(7-Octyn-1-yl)-1H-isoindole-1,3-dione, 17170-26-2, W-206014, DTXSID60718497, 5532AD, MFCD18325177, ZINC72194298, AKOS015950303, FCH3747583, RP07871, ACM17170262, 2-(oct-7-yn-1-yl)isoindole-1,3-dione, FT-0685997, K-5281, 2-(Oct-7-yn-1-yl)-1H-isoindole-1,3(2H)-dione, 2-(7-Octyn-1-yl)-1H-isoindole-1,3-dione, AldrichCPR, C16H17NO2,

Complexity	369
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.126g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.317g/mol
Monoisotopic Mass	255.126g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	37.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H319-H410
Packing Group	Ⅲ
Precautionary statements	P273-P305+P351+P338-P501
UN Code	UN 3077

Certificate of Analysis

Lot Number