AG00DELI

4720-83-6 | 6-OXABICYCLO[3.2.1]OCT-3-EN-7-ONE

AG00DELI

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CAS Number	4720-83-6
Catalog Number	AG00DELI(AGN-PC-0JPUP0)
Chemical Name	6-OXABICYCLO[3.2.1]OCT-3-EN-7-ONE
IUPAC Name	6-oxabicyclo[3.2.1]oct-3-en-7-one
InChI	InChI=1S/C7H8O2/c8-7-5-2-1-3-6(4-5)9-7/h1,3,5-6H,2,4H2
InChI Key	TVEXGJYMHHTVKP-UHFFFAOYSA-N
MDL Number	MFCD21091252
Molecular Formula	C7H8O2
Molecular Weight	124.1372
NSC Number	657815
SMILES	O=C1OC2C=CCC1C2
Synonyms	6-Oxabicyclo[3.2.1]oct-3-en-7-one, 4720-83-6, NSC657815, AC1L8COE, AC1Q6HJV, SCHEMBL971692, 1H-Phenalen-1-one,9-ethoxy-, CHEMBL2000093, CTK4I9786, cyclohex-3-ene-1,5-carbolactone, DTXSID00327461, TVEXGJYMHHTVKP-UHFFFAOYSA-N, MFCD09038751, AKOS015962709, DS-6709, NSC-657815, 6-Oxabicyclo[3.2.1]-oct-3-en-7-one, AC-17628, AK122486, NCI60_020158, 3-Hydroxy-4-cyclohexene-1-carboxylic acid lactone, A1-00450, AR-1H2478, CID376759, 480-39-7,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.052g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	124.139g/mol
Monoisotopic Mass	124.052g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number