AG00DU6Y

4385-48-2 | Benzo[b][1,4]dioxin-2(3H)-one

AG00DU6Y

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CAS Number	4385-48-2
Catalog Number	AG00DU6Y(AGN-PC-0LFFLR)
Chemical Name	Benzo[b][1,4]dioxin-2(3H)-one
IUPAC Name	1,4-benzodioxin-3-one
InChI	InChI=1S/C8H6O3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2
InChI Key	ULEKGOXADQVOIF-UHFFFAOYSA-N
MDL Number	MFCD00187272
Molecular Formula	C8H6O3
Molecular Weight	150.1314
SMILES	O=C1OC2=CC=CC=C2OC1
Synonyms	2,3-dihydro-1,4-benzodioxin-2-one, 4385-48-2, 1,4-Benzodioxin-2(3H)-one, Benzo[b][1,4]dioxin-2(3H)-one, benzodioxinone, AC1NFLI7, 1,4-benzodioxin-3-one, 1,4-Benzodioxan-2-one, SCHEMBL279547, 3-H-benzo-1,4-dioxin-2-one, CTK1D5162, DTXSID40405555, ULEKGOXADQVOIF-UHFFFAOYSA-N, BENZO-1,4-DIOXAN-2-ONE, ZINC4141385, MFCD00187272, AKOS006228252, MCULE-4040817110, CS-0062232, EU-0001646, SR-01000401288, SR-01000401288-1, F8889-4600, I14-109678, CID4685450, 7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-8-one,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.032g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	150.133g/mol
Monoisotopic Mass	150.032g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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