AG0001X0

1004-36-0 | 4H-Pyran-4-one, 2,6-dimethyl-

AG0001X0

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CAS Number	1004-36-0
Catalog Number	AG0001X0(AGN-PC-0JKBF2)
Chemical Name	4H-Pyran-4-one, 2,6-dimethyl-
EC Number	213-719-1
IUPAC Name	2,6-dimethylpyran-4-one
InChI	InChI=1S/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
InChI Key	VSYFZULSKMFUJJ-UHFFFAOYSA-N
MDL Number	MFCD00006579
Molecular Formula	C7H8O2
Molecular Weight	124.1372
SMILES	O=c1cc(C)oc(c1)C
UNII	V2D262MF0L
Synonyms	2,6-Dimethyl-4H-pyran-4-one, 1004-36-0, 2,6-Dimethyl-4-pyrone, 2,6-Dimethyl-gamma-pyrone, 2,6-Dimethyl-4-pyranone, 4H-PYRAN-4-ONE, 2,6-DIMETHYL-, 2,6-dimethylpyran-4-one, gamma-2,6-Dimethylpyrone, NSC 8735, UNII-V2D262MF0L, 2,6-Dimethyl-pyran-4-one, 2,6-Dimethyl-.gamma.-pyrone, CCRIS 3601, NSC-8735, EINECS 213-719-1, MFCD00006579, NSC 48105, BRN 0107418, AI3-05951, CHEMBL223295, V2D262MF0L, VSYFZULSKMFUJJ-UHFFFAOYSA-N, 2,6-Dimethyl-gamma-pyrone, 99%, 4H-Pyran-4-one,6-dimethyl-, WLN: T6O DVJ B1 F1, PubChem18806, ACMC-1BQNO, 2,6-Dimethyl-g-pyrone, 2,6-dimethyl 4-pyrone, SCHEMBL9586, .gamma.-2,6-Dimethylpyrone, 5-17-09-00410 (Beilstein Handbook Reference), 2,6-Dimethyl-4H-pyran-4one, AC1L22N5, Jsp000116, DTXSID6074415, 2,6-dimethyl-4H-pyran-4o-one, CTK3J8133, NSC8735, ZINC163377, NSC48105, ANW-41989, BDBM50195868, NSC-48105, SBB056217, STK328106, AKOS000120477, CD-1064, MCULE-5402949310, AC-24427, AJ-16027, AN-48262, DS-11861, SC-48098, ZB007982, LS-127442, RT-004252, AM20070646, D0794, FT-0610694, ST24038865, ST45022208, Z6274, A22622, K-0173, W-108963, I14-17291, F1244-0115, InChI=1/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H, 2,6-Dimethyl-?-pyrone, C7H8O2, C7-H8-O2, CID13862, ACN-041574,

Complexity	179
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	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number