AG0025AY

1774-11-4 | 1,3-Cyclohexanedione, 5-(2-furanyl)-

AG0025AY

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CAS Number	1774-11-4
Catalog Number	AG0025AY(AGN-PC-0JV495)
Chemical Name	1,3-Cyclohexanedione, 5-(2-furanyl)-
IUPAC Name	5-(furan-2-yl)cyclohexane-1,3-dione
InChI	InChI=1S/C10H10O3/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h1-3,7H,4-6H2
InChI Key	FYLTVHCMIYGVPZ-UHFFFAOYSA-N
MDL Number	MFCD00104796
Molecular Formula	C10H10O3
Molecular Weight	178.1846
SMILES	O=C1CC(CC(C2=CC=CO2)C1)=O
Synonyms	1774-11-4, 5-(furan-2-yl)cyclohexane-1,3-dione, 5-(2-furyl)cyclohexane-1,3-dione, 5-(2-Furyl)-1,3-cyclohexanedione, 1,3-Cyclohexanedione, 5-(2-furanyl)-, 5-Furan-2-yl-cyclohexane-1,3-dione, 1,3-Cyclohexanedione,5-(2-furanyl)-, GEO-03753, 5-(2-furanyl)cyclohexane-1,3-dione, SR-01000450568, ZERO/001069, AC1LF8YL, Maybridge1_003103, AC1Q6KQ8, MLS000047587, cid_658692, SCHEMBL1177395, CHEMBL1549546, BDBM80354, CTK4D6492, HMS550F01, DTXSID40351407, CHEBI:109724, FYLTVHCMIYGVPZ-UHFFFAOYSA-N, HMS2292A07, 5-(2-Furyl)cyclohexan-1,3-dione, ALBB-015309, BB_SC-05747, CS-D0181, ZX-AN014017, ZX-AT024717, ZX-CM001550, 5927AD, BBL012460, FCH931457, MFCD00104796, SBB001597, STK742104, 5-(2-furyl)-cyclohexane-1,3-dione, 5-(2-Furanyl)-1,3-cyclohexanedione, AKOS000265861, ZINC100014404, FS-5275, MCULE-6518617420, RP23945, VZ29882, AK-98965, CC-20624, SMR000033598, 5-(2-Furyl)-1,3-cyclohexanedione, 96%, AB0071280, DB-001943, ST4045695, TR-008098, BB 0260420, FT-0619585, 5-(2-furyl)-3-hydroxy-cyclohex-2-en-1-one, 5-(2-furanyl)-3-hydroxy-1-cyclohex-2-enone, W-6481, 5-(furan-2-yl)-3-oxidanyl-cyclohex-2-en-1-one, A812254, C-06366, J-011278, J-516346, SR-01000450568-1, SR-01000450568-2, I14-30705, N-(3-methoxybenzyl)-6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-amine, MLS000027437, C10H10O3, AR-1G5046, CID699513, SMR000037366, (2R)-2-ethyl-1-methylpiperazine dihydrochloride, 5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one, 17814-85-6,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.187g/mol
Monoisotopic Mass	178.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	47.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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