AG00AQTM

17429-36-6 | 6-Phenyl-6-methyl-1-cyclohexene-3-one

AG00AQTM

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CAS Number	17429-36-6
Catalog Number	AG00AQTM(AGN-PC-0JOWZC)
Chemical Name	6-Phenyl-6-methyl-1-cyclohexene-3-one
IUPAC Name	4-methyl-4-phenylcyclohex-2-en-1-one
InChI	InChI=1S/C13H14O/c1-13(9-7-12(14)8-10-13)11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3
InChI Key	NTASQMWLMVNJSS-UHFFFAOYSA-N
MDL Number	MFCD00087385
Molecular Formula	C13H14O
Molecular Weight	186.2497
NSC Number	250970
SMILES	O=C1CCC(C2=CC=CC=C2)(C)C=C1
Synonyms	17429-36-6, 1-Methyl-2,3-dihydro-[1,1'-biphenyl]-4(1H)-one, 4-methyl-4-phenylcyclohex-2-en-1-one, 4-methyl-4-phenylcyclohex-2-enone, 2-Cyclohexen-1-one, 4-methyl-4-phenyl-, NTASQMWLMVNJSS-UHFFFAOYSA-N, 4-Methyl-4-phenyl-2-cyclohexen-1-one, NSC250970, AC1L7WHQ, AC1Q2CXI, SCHEMBL8873535, CTK0E4146, KS-00000RGP, MFCD00087385, AKOS016844447, DS-6977, MCULE-1384031940, NE41405, NSC-250970, RL02232, 6-Phenyl-6-methyl-1-cyclohexene-3-one, AK132206, 4-Methyl-4-phenyl-2-cyclohexen-1-one #, 4-METHYL-4-PHENYL-CYCLOHEX-2-ENONE, 4CH-005538, ST24038087, J-515752, 4-METHYL-4-PHENYL-2-CYCLOHEXEN-1-ONE, (+/-), 51020-13-4, CID317675,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.104g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.254g/mol
Monoisotopic Mass	186.104g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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