AG00371E

57830-14-5 | 5-Phenoxyisobenzofuran-1(3H)-one

AG00371E

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CAS Number	57830-14-5
Catalog Number	AG00371E(AGN-PC-078TPF)
Chemical Name	5-Phenoxyisobenzofuran-1(3H)-one
IUPAC Name	5-phenoxy-3H-2-benzofuran-1-one
InChI	InChI=1S/C14H10O3/c15-14-13-7-6-12(8-10(13)9-16-14)17-11-4-2-1-3-5-11/h1-8H,9H2
InChI Key	BTQCNYDOVASZJD-UHFFFAOYSA-N
MDL Number	MFCD14582822
Molecular Formula	C14H10O3
Molecular Weight	226.2274
SMILES	O=C1OCC2=C1C=CC(OC3=CC=CC=C3)=C2
Synonyms	5-phenoxyisobenzofuran-1(3H)-one, 57830-14-5, 5-phenoxy-3H-2-benzofuran-1-one, 5-phenoxy-3H-isobenzofuran-1-one, 5-phenoxyphthalide, SCHEMBL15268421, CTK1G7639, DTXSID60659457, BTQCNYDOVASZJD-UHFFFAOYSA-N, 5-Phenoxy-1(3H)-isobenzofuranone, 5-Phenoxy-2-benzofuran-1(3H)-one, MFCD14582822, ZINC54965405, 1(3H)-Isobenzofuranone, 5-phenoxy-, 5-phenoxyisobenzo[b]furan-1(3H)-one, AKOS015908531, LS40700, AK-79978, DS-17884, 5-phenoxy-1,3-dihydro-2-benzofuran-1-one, AJ-112540, AX8261428, FT-0651618, A831625, I14-3439,

Complexity	283
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.063g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.231g/mol
Monoisotopic Mass	226.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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