AG003MQ9

73819-76-8 | 5-Ethynylisobenzofuran-1,3-dione

AG003MQ9

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CAS Number	73819-76-8
Catalog Number	AG003MQ9(AGN-PC-006QR6)
Chemical Name	5-Ethynylisobenzofuran-1,3-dione
IUPAC Name	5-ethynyl-2-benzofuran-1,3-dione
InChI	InChI=1S/C10H4O3/c1-2-6-3-4-7-8(5-6)10(12)13-9(7)11/h1,3-5H
InChI Key	DXJLXGJIZZNCBO-UHFFFAOYSA-N
MDL Number	MFCD06200801
Molecular Formula	C10H4O3
Molecular Weight	172.1370
SMILES	O=C1OC(C2=C1C=CC(C#C)=C2)=O
Synonyms	4-Ethynylphthalic Anhydride, 73819-76-8, 5-ethynylisobenzofuran-1,3-dione, 1,3-Isobenzofurandione, 5-ethynyl-, ACMC-209osd, 4-EthynylphthalicAnhydride, SCHEMBL278397, CTK3J7843, C10H4O3, DTXSID40462229, 1463AC, ANW-36395, MFCD06200801, AKOS015836241, ZINC100023721, FCH1122645, RTR-023917, KS-0000145S, AX8097054, TR-023917, E0579, FT-0692719, 5-ethynyl-1,3-dihydro-2-benzofuran-1,3-dione, CID11321228,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.016g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.139g/mol
Monoisotopic Mass	172.016g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.4A^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
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number