AG008S23

1073-79-6 | 2,6-Dimethyltetrahydro-4H-pyran-4-one

AG008S23

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CAS Number	1073-79-6
Catalog Number	AG008S23(AGN-PC-05XA7I)
Chemical Name	2,6-Dimethyltetrahydro-4H-pyran-4-one
IUPAC Name	2,6-dimethyloxan-4-one
InChI	InChI=1S/C7H12O2/c1-5-3-7(8)4-6(2)9-5/h5-6H,3-4H2,1-2H3
InChI Key	FZXBJPDVINOGBR-UHFFFAOYSA-N
MDL Number	MFCD01693965
Molecular Formula	C7H12O2
Molecular Weight	128.1690
SMILES	O=C1CC(C)OC(C)C1
Synonyms	1073-79-6, 2,6-Dimethyldihydro-2H-pyran-4(3H)-one, 2,6-dimethyltetrahydro-4h-pyran-4-one, 2,6-dimethyloxan-4-one, Dimethyltetrahydropyrone, Tetrahydro-2,6-dimethyl-4H-pyran-4-one, 4H-Pyran-4-one, tetrahydro-2,6-dimethyl-, 2,6-Dimethyl tetrahydro-1,4-pyrone, AI3-14410, cis-2,6-dimethyldihydro-2H-pyran-4(3H)-one, (2S,6S)-2,6-dimethyloxan-4-one, trans-2,6-dimethyldihydro-2H-pyran-4(3H)-one, 2,6-Dimethyl tetrahydro-4H-Pyran-4-one, AC1L2EHV, AC1Q6EDZ, 2,6-dimethyl-4-oxanone, SCHEMBL614073, KS-00002ALY, 2,6-Dimethyltetrahydro-4-pyrone, FZXBJPDVINOGBR-UHFFFAOYSA-N, 2,6-dimethyltetrahydropyran-4-one, 2.6-Dimethyltetrahydropyran-4-one, 165876-15-3, BCP20532, ZX-AT001849, 1555AA, MFCD01693965, OR9085, SBB056218, 2,6-Dimethyl-tetrahydro-pyran-4-one, AKOS015913596, FCH1122449, PS-6158, SB18548, 2,6-Dimethyl-4-oxotetrahydro-2H-pyran, 2,6-dimethyl tetrahydo-4H-pyran-4-one, 2,6-dimethyl tetrahydo-4-H-pyran-4-one, SC-43659, AX8068514, DB-059633, LS-127473, CS-0054532, FT-0660028, 2,6-dimethyl-2H-3,5,6-trihydropyran-4-one, EN300-118804, K-0577, A801686, I14-4624, racemic (2R,6R)-2,6-dimethyldihydro-2H-pyran-4(3H)-one, C7H12O2, CID70626, AR-1D5057, C7-H12-O2, 14505-80-7, 108779-73-3, 54513-59-6,

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.084g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	128.171g/mol
Monoisotopic Mass	128.084g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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