AG0025AX

1774-12-5 | 5-(4-Methoxyphenyl)cyclohexane-1,3-dione

AG0025AX

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CAS Number	1774-12-5
Catalog Number	AG0025AX(AGN-PC-0JMI61)
Chemical Name	5-(4-Methoxyphenyl)cyclohexane-1,3-dione
IUPAC Name	5-(4-methoxyphenyl)cyclohexane-1,3-dione
InChI	InChI=1S/C13H14O3/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h2-5,10H,6-8H2,1H3
InChI Key	AHYCBDWPHFFKFK-UHFFFAOYSA-N
MDL Number	MFCD00104791
Molecular Formula	C13H14O3
Molecular Weight	218.2485
NSC Number	405978
SMILES	O=C1CC(CC(C2=CC=C(OC)C=C2)C1)=O
Synonyms	5-(4-methoxyphenyl)cyclohexane-1,3-dione, 1774-12-5, 5-(4-Methoxyphenyl)-1,3-cyclohexanedione, 5-(4-Methoxy-phenyl)-cyclohexane-1,3-dione, AHYCBDWPHFFKFK-UHFFFAOYSA-N, 5-(p-Methoxyphenyl)-1,3-cyclohexanedione, 5-[4-(Methoxyphenyl)]-1,3-cyclohexanedione, NSC405978, ACMC-1BQYQ, CBMicro_014422, AC1Q4AW1, AC1L871Y, SCHEMBL1177339, 4-(3,5-Dioxocyclohexyl)anisole, CTK4D6493, KS-00001SQB, DTXSID90324186, HMS1662C14, ALBB-006851, CS-D0087, SMSF0004944, ZX-AN006485, ZX-AT015416, ZX-AV000409, 5929AD, BBL008331, MFCD00104791, SBB048411, STK415168, 5-(4-Methoxyphenyl)cyclohexane-dione, AKOS000265030, ZINC100009713, ACM1774125, CB12807, NSC-405978, OR17908, TRA0060789, AK142943, AN-49862, ST034242, BIM-0014641.P001, AB0081686, AX8101066, TX-011379, 1,3-Cyclohexanedione,5-(4-methoxyphenyl)-, BB 0253917, FT-0679267, 1,3-Cyclohexanedione, 5-[4-methoxyphenyl]-, 5-(4-Methoxyphenyl)-1,3-cyclohexanedione #, Y-9663, AB00075974-01, 12H-925, 774M125, AK-968/15361183, C-57121, SR-01000467181, 5-[4-(Methoxyphenyl)]-1,3-cyclohexanedione, 96%, J-011279, SR-01000467181-1, I14-29036, F0915-0469, C13H14O3, CID347343,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.094g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.252g/mol
Monoisotopic Mass	218.094g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number