AG0032LD

504-02-9 | 1,3-Cyclohexanedione

AG0032LD

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CAS Number	504-02-9
Catalog Number	AG0032LD(AGN-PC-07A1UW)
Chemical Name	1,3-Cyclohexanedione
EC Number	207-980-0
IUPAC Name	cyclohexane-1,3-dione
InChI	InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
InChI Key	HJSLFCCWAKVHIW-UHFFFAOYSA-N
MDL Number	MFCD00001585
Molecular Formula	C6H8O2
Molecular Weight	112.1265
NSC Number	57477
SMILES	O=C1CC(=O)CCC1
UNII	6UK3D2BXJT
Synonyms	1,3-cyclohexanedione, 1,3-Cyclohexanedione, 504-02-9, CYCLOHEXANE-1,3-DIONE, Dihydroresorcinol, 1,3-Cyclohexandione, Hydroresorcinol, 1,3 Cyclohexanedione, Resorcinol, dihydro-, 1,3-Cyclohexanone, UNII-6UK3D2BXJT, 1,3-Benzenediol, dihydro-, 1,3-cyclohexane dione, cyclohexane-1,3-quinone, MFCD00001585, 6UK3D2BXJT, 1,3-Cyclohexanedione, 97%, CHEBI:17766, HJSLFCCWAKVHIW-UHFFFAOYSA-N, 1, dihydro-, 1,3-cyclohexandion, EINECS 207-980-0, NSC 57477, 1,3 cyclohexandione, 1,3-cylohexanedione, 1.3-cyclohexanedione, 3,5-cyclohexanedione, cyclohexane-1,3dione, cyclohexane1,3-dione, 1,3-Dioxocyclohexane, 1,3-cyclohexane-dione, Cyclohexan-1,3-dione, cyclohexane 1,3-dione, PubChem11104, ACMC-1ARRE, cyclohexan- 1,3-dione, AI3-11062, cyclo-hexane-1,3-dione, WLN: L6V CVTJ, EC 207-980-0, AC1L1V6W, DSSTox_CID_24433, DSSTox_RID_80224, DSSTox_GSID_44433, Benzil-related compound, 49, KSC272C5R, SCHEMBL106541, CHEMBL363919, EBD525, DTXSID1044433, BDBM22770, CTK1H2158, BCP24444, KS-00000C0A, NSC57477, STR00599, Tox21_302158, ANW-30982, BBL009964, NSC-57477, SBB061546, STL145900, AKOS000119320, ZINC100003028, AC-6960, AN-9515, BCP9000566, CS-W007466, MCULE-7494421285, RP03056, RTR-032638, TRA0157750, NCGC00255863-01, AK-44688, BR-44688, CAS-504-02-9, Cyclohexane-1,3-dione; Dihydroresorcinol, SC-16085, SY004453, AB1002007, DB-027323, ST2412756, TL8003340, TR-032638, AM20070493, FT-0606599, ST51047553, MFCD00001585 (98%), C01066, M-7237, 138935-EP2272849A1, 138935-EP2292586A2, I14-0266, J-520150, I14-21128, F0001-1313, 1,3-Cyclohexanedione, purum, for fluorescence, >=97.0% (T), C6H8O2, C6-H8-O2, CID10434, c0682, RW1566, ACN-050079, A5581, 1,3-Cyclohexanedione, 99% - 100G 100g, 1194-18-9,

Complexity	113
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.052g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	112.128g/mol
Monoisotopic Mass	112.052g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number