AG00EB2I

57280-22-5 | 4,4-Dimethyl-3,5,8-trioxabic-yclo[5,1,0]Octane

AG00EB2I

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CAS Number	57280-22-5
Catalog Number	AG00EB2I(AGN-PC-0NEPV6)
Chemical Name	4,4-Dimethyl-3,5,8-trioxabic-yclo[5,1,0]Octane
IUPAC Name	4,4-dimethyl-3,5,8-trioxabicyclo[5.1.0]octane
InChI	InChI=1S/C7H12O3/c1-7(2)8-3-5-6(10-5)4-9-7/h5-6H,3-4H2,1-2H3
InChI Key	GEKNCWQQNMEIMS-UHFFFAOYSA-N
MDL Number	MFCD16621162
Molecular Formula	C7H12O3
Molecular Weight	144.1684
SMILES	CC1(C)OCC2OC2CO1
Synonyms	4,4-dimethyl-3,5,8-trioxabicyclo[5.1.0]octane, 57280-22-5, 4,4-Dimethyl-3,5,8-trioxabic-yclo[5,1,0]Octane, MFCD16621162, AK104874, 100572-41-6, 4,4-Dimethyl-3,5,8-trioxabicyclo(5.1.0)octane, 4,4-dimethyl-3,5,8-trioxabicyclo-[5.1.0]-octane, A1-01688, 4,4-Dimethyl-3,5,8-trioxa-bicyclo[5.1.0]octane, ACMC-20m3nj, 3,5,8-Trioxabicyclo[5.1.0]octane, 4,4-dimethyl-, cis-, 4,4-dimethyl-3,5,8-trioxabicyclo[5,1,0]octane, SCHEMBL1223255, CTK8C3989, GEKNCWQQNMEIMS-UHFFFAOYSA-N, BCP17091, KS-00000QP0, ANW-70911, AKOS016007973, ACN-034340, CM11116, FCH1162034, AC-26559, AS-19260, OR302184, AX8239082, TC-159656, 4CH-021901, CS-0043326, D5200, ST24042559, X6077, 4,4-dimethyl-3,5, 8-trioxabicyclo[5.1.0]octane, 3,5,8-Trioxabicyclo[5.1.0]octane, 4,4-dimethyl-, C7H12O3, CID11094747, EC 421-750-9,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.079g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	144.17g/mol
Monoisotopic Mass	144.079g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	31A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H412
Packing Group
Precautionary statements	P273-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number