AG008ROO

1073-13-8 | 4,4-Dimethylcyclohex-2-enone

AG008ROO

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CAS Number	1073-13-8
Catalog Number	AG008ROO(AGN-PC-0JMP48)
Chemical Name	4,4-Dimethylcyclohex-2-enone
IUPAC Name	4,4-dimethylcyclohex-2-en-1-one
InChI	InChI=1S/C8H12O/c1-8(2)5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3
InChI Key	HAUNPYVLVAIUOO-UHFFFAOYSA-N
MDL Number	MFCD00009695
Molecular Formula	C8H12O
Molecular Weight	124.1803
SMILES	O=C1C=CC(C)(C)CC1
UNII	10J1HF864Z
Synonyms	4,4-Dimethyl-2-cyclohexen-1-one, 1073-13-8, 4,4-dimethylcyclohex-2-enone, 4,4-dimethylcyclohex-2-en-1-one, 2-Cyclohexen-1-one, 4,4-dimethyl-, 4,4-Dimethyl-2-cyclohexenone, MFCD00009695, 4,4-Dimethylcyclohexenone, UNII-10J1HF864Z, HAUNPYVLVAIUOO-UHFFFAOYSA-N, 10J1HF864Z, 4,4-dimethyl-2-cyclohexene-1-one, 4,4-dimethyl-cyclohex-2-en-1-one, 4,4-Dimethyl-2-cyclohexen-1-one, 97%, PubChem17152, ACMC-1BXZO, SCHEMBL430665, 3,3-Dimethylcyclohexene-6-one, AC1L39E1, 4,4-dimethyl-cyclohex-2-enone, 4,4-dimethyl-cyclohexen-1-one, 4,4-Dimethyl-cyclohexene-1-one, CTK3J8136, DTXSID70147996, 4,4-dimethyl-1-cyclohex-2-enone, ACT05388, ZINC4262417, 4,4-dimethylcyclohex- 2-en-1-one, 2-Cyclohexen-1-one,4,4-dimethyl-, ANW-15760, BBL102646, CL3492, GEO-01169, STL556450, AKOS005259808, AC-7019, AM84327, AN-9417, RP00753, RTR-001691, AJ-49891, AK-49233, BR-49233, DS-14987, SC-25845, AB0034647, AB1000203, DB-008359, ST2417875, TR-001691, D3852, FT-0617080, X8834, B-6397, A801667, J-001784, J-514020, S14-1486, InChI=1/C8H12O/c1-8(2)5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H, null, C8H12O, CID136839, ZINC04262417, A2074, 4,4-Dimethyl-2-cyclohexen-1-one, 97% - 5G 5g, 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzeneacetic acid, ethyl ester,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.089g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	124.183g/mol
Monoisotopic Mass	124.089g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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

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