AG003SF6

4616-63-1 | 2-(Prop-2-yn-1-yloxy)isoindoline-1,3-dione

AG003SF6

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CAS Number	4616-63-1
Catalog Number	AG003SF6(AGN-PC-0JLRB7)
Chemical Name	2-(Prop-2-yn-1-yloxy)isoindoline-1,3-dione
EC Number	225-024-0
IUPAC Name	2-prop-2-ynoxyisoindole-1,3-dione
InChI	InChI=1S/C11H7NO3/c1-2-7-15-12-10(13)8-5-3-4-6-9(8)11(12)14/h1,3-6H,7H2
InChI Key	HBGZBVPXPDNXOV-UHFFFAOYSA-N
MDL Number	MFCD00005890
Molecular Formula	C11H7NO3
Molecular Weight	201.1782
NSC Number	80674
SMILES	O=C(N1OCC#C)C2=CC=CC=C2C1=O
Synonyms	4616-63-1, N-(Propargyloxy)phthalimide, 2-(Prop-2-yn-1-yloxy)isoindoline-1,3-dione, N-(Prop-2-ynyloxy)phthalimide, n-propargyloxyphthalimide, MFCD00005890, HBGZBVPXPDNXOV-UHFFFAOYSA-N, 2-PROP-2-YNOXYISOINDOLINE-1,3-DIONE, N-(Propargyloxy)phthalimide, 98%, 2-prop-2-ynyloxybenzo[c]azoline-1,3-dione, NSC80674, EINECS 225-024-0, ACMC-20aka8, N-2-propynoxyphthalimide, N-(2-Propynyloxy)phthalimide, SCHEMBL698426, AC1L2V20, CTK4I9207, DTXSID50196745, Phthalimide, N-(2-propynyloxy)-, ZINC1639574, 2-prop-2-ynoxyisoindole-1,3-dione, NSC-80674, SBB008978, AKOS024348844, ACM4616631, FCH1679191, MCULE-4938957653, 2-prop-2-ynyloxy-isoindole-1,3-dione, BBV-45063636, CC-31660, CJ-26390, 2-(Prop-2-ynyloxy)-isoindole-1,3-dione, 2-(prop-2-ynyloxy)isoindoline-1,3-dione, DB-051357, TC-165959, 2-(prop-2-yn-1-yloxy)isoindole-1,3-dione, FT-0635374, P2342, ST50825463, 2-prop-2-ynoxyisoindoline-1,3-dione, AldrichCPR, C-30442, 1H-Isoindole-1,3(2H)-dione, 2-(2-propynyloxy)-, 2-(2-Propynyloxy)-1H-isoindole-1,3(2H)-dione #, I14-91356, 1H-Isoindole-1,3(2H)-dione,2-(2-propyn-1-yloxy)-, InChI=1/C11H7NO3/c1-2-7-15-12-10(13)8-5-3-4-6-9(8)11(12)14/h1,3-6H,7H, Propargyl propionate, C11H7NO3, C11-H7-N-O3, CID78357,

Complexity	317
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.043g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.181g/mol
Monoisotopic Mass	201.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
UN Code

Certificate of Analysis

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