AG00BXRW

42858-60-6 | 3,5-Dioxocyclohexanecarboxylic acid

AG00BXRW

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CAS Number	42858-60-6
Catalog Number	AG00BXRW(AGN-PC-0017FX)
Chemical Name	3,5-Dioxocyclohexanecarboxylic acid
IUPAC Name	3,5-dioxocyclohexane-1-carboxylic acid
InChI	InChI=1S/C7H8O4/c8-5-1-4(7(10)11)2-6(9)3-5/h4H,1-3H2,(H,10,11)
InChI Key	MCGPFJGIBKPQGO-UHFFFAOYSA-N
MDL Number	MFCD09836162
Molecular Formula	C7H8O4
Molecular Weight	156.1360
SMILES	O=C(C1CC(CC(C1)=O)=O)O
Synonyms	3,5-dioxocyclohexanecarboxylic acid, 42858-60-6, 3,5-dioxocyclohexane-1-carboxylic acid, 3,5-Dioxo-cyclohexanecarboxylic acid, 3,5-dioxocyclohexane carboxylic acid, Cyclohexanecarboxylic acid, 3,5-dioxo-, W-202743, 3,5-cyclohexanedione-1-carboxylic acid, ACMC-209jrc, KSC235M8P, SCHEMBL1839380, 5-Carboxycyclohexane-1,3-dione, CTK1D5687, DTXSID70559515, MCGPFJGIBKPQGO-UHFFFAOYSA-N, ZX-AT005276, ANW-29878, FCH921672, MFCD09836162, OR2410, SBB051442, AKOS006344989, Cyclohexanecarboxylicacid, 3,5-dioxo-, ZINC100014505, ACN-049204, CD-1866, FR-2420, MCULE-2619134082, PS-4331, RTR-016698, 1,3-Cyclohexanedione-5-carboxylic acid, 3,5-dioxo-1-cyclohexanecarboxylic acid, ACM42858606, 3,5-dioxo-cyclohexane-1-carboxylic acid, AK109083, BC677522, S761, SC-82549, AB0018761, AX8082942, DB-080941, TR-016698, CS-0063200, FT-0656532, ST50541630, A-3073, A826034, 3,5-bis(oxidanylidene)cyclohexane-1-carboxylic acid, I04-1027, I14-21017, C7H8O4, (S)-2-methylpyrrolidine-2-carboxylic acid,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.042g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	156.137g/mol
Monoisotopic Mass	156.042g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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