AG003LU2

37592-72-6 | 4'-N-Hexylacetophenone

AG003LU2

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CAS Number	37592-72-6
Catalog Number	AG003LU2(AGN-PC-0JLOGL)
Chemical Name	4'-N-Hexylacetophenone
IUPAC Name	1-(4-hexylphenyl)ethanone
InChI	InChI=1S/C14H20O/c1-3-4-5-6-7-13-8-10-14(11-9-13)12(2)15/h8-11H,3-7H2,1-2H3
InChI Key	WWBVHJKFJZBRSO-UHFFFAOYSA-N
MDL Number	MFCD00043677
Molecular Formula	C14H20O
Molecular Weight	204.3080
SMILES	CC(C1=CC=C(CCCCCC)C=C1)=O
Synonyms	4-hexylacetophenone, 37592-72-6, 1-(4-Hexylphenyl)ethanone, p-Hexylacetophenone, 4'-Hexylacetophenone, 4'-n-Hexylacetophenone, 1-(4-hexylphenyl)ethan-1-one, Ethanone, 1-(4-hexylphenyl)-, 4-n-Hexylacetophenone, 4-Hexylacetophenone, WWBVHJKFJZBRSO-UHFFFAOYSA-N, MFCD00043677, 1-acetyl-4-hexylbenzene, Agarose GPG/LE, AC1Q2VUH, AC1Q5DXS, ACMC-209iu5, AC1L3WN4, SCHEMBL965858, 1-(4-Hexylphenyl)ethanone #, DTXSID9068037, CTK8B1566, ALBB-018408, ZINC2168748, 4'-N-Hexylacetophenone, AldrichCPR, ANW-28683, SBB008299, AKOS009153701, FR-1188, MCULE-1138728626, RP04488, VZ27402, KS-0000140N, AJ-33907, AN-21202, TR-015260, FT-0618588, R1742, ST50825531, Y8913, EN300-29767, I01-7642, J-503322, Z1245735244, C14H20O, AR-1L0682, C14-H20-O, CID123462, ZINC02168748, A2500, H0669, 9012-36-6,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.151g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.313g/mol
Monoisotopic Mass	204.151g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number