AG00IMBD

4295-92-5 | 2H-Pyran-2,6(3H)-dione, dihydro-3,5-dimethyl-, (3R,5S)-rel-

AG00IMBD

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CAS Number	4295-92-5
Catalog Number	AG00IMBD(AGN-PC-0RR5RJ)
Chemical Name	2H-Pyran-2,6(3H)-dione, dihydro-3,5-dimethyl-, (3R,5S)-rel-
IUPAC Name	(3R,5S)-3,5-dimethyloxane-2,6-dione
InChI	InChI=1S/C7H10O3/c1-4-3-5(2)7(9)10-6(4)8/h4-5H,3H2,1-2H3/t4-,5+
InChI Key	SIFQWEJOHACJOL-SYDPRGILSA-N
MDL Number	MFCD09152749
Molecular Formula	C7H10O3
Molecular Weight	142.1525
SMILES	O=C1[C@H](C)C[C@H](C)C(O1)=O
Synonyms	cis-3,5-dimethyldihydro-2H-pyran-2,6(3H)-dione, 4295-92-5, (3R,5S)-3,5-dimethyloxane-2,6-dione, 2H-Pyran-2,6(3H)-dione, dihydro-3,5-dimethyl-, cis-, dimethyldihydropyrandione, SCHEMBL1330580, CTK1D2914, DTXSID10473009, SIFQWEJOHACJOL-SYDPRGILSA-N, MFCD09152749, AKOS006330973, ZINC100128372, MA-0846, RP09857, KS-000027M7, (2R,4S)-2,4-Dimethylglutaric anhydride, TR-065237, Z-1733, (3R,5S)-3,5-dimethyldihydro-2H-pyran-2,6(3H)-dione, 3,5-Dimethyldihydropyran-2,6-dione, CID11804853,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	142.063g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	142.154g/mol
Monoisotopic Mass	142.063g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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