AG003CYO

37920-25-5 | 1-(4-Butylphenyl)ethan-1-one

AG003CYO

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CAS Number	37920-25-5
Catalog Number	AG003CYO(AGN-PC-0JLOGT)
Chemical Name	1-(4-Butylphenyl)ethan-1-one
EC Number	253-715-7
IUPAC Name	1-(4-butylphenyl)ethanone
InChI	InChI=1S/C12H16O/c1-3-4-5-11-6-8-12(9-7-11)10(2)13/h6-9H,3-5H2,1-2H3
InChI Key	MQESVSITPLILCO-UHFFFAOYSA-N
MDL Number	MFCD00017500
Molecular Formula	C12H16O
Molecular Weight	176.2548
SMILES	CC(C1=CC=C(CCCC)C=C1)=O
UNII	6738CF9Z8V
Synonyms	37920-25-5, 4'-Butylacetophenone, 1-(4-Butylphenyl)ethanone, 1-(4-Butylphenyl)ethan-1-one, Ethanone, 1-(4-butylphenyl)-, p-n-Butylacetophenone, p-Butylacetophenone, 4'-n-Butylacetophenone, UNII-6738CF9Z8V, MQESVSITPLILCO-UHFFFAOYSA-N, 6738CF9Z8V, MFCD00017500, 1-acetyl-4-butylbenzene, 1-(4-Butyl-Phenyl)Ethanone, W-106505, 4-n-butylacetophenone, EINECS 253-715-7, 4;-Butylacetophenone, ACMC-1AGLY, AC1L3WNS, AC1Q5DXN, 4'-Butylacetophenone, 95%, SCHEMBL967078, 1-(4-butyl-phenyl)-ethanone, 1-(4-Butylphenyl)ethanone #, 4'-n-Butylacetophenone, 95%, 1-(4-butylphenyl)-1-ethanone, Jsp006673, DTXSID2068056, CTK6D6299, ALBB-002839, KS-000010BX, ZINC2146983, ZX-AN002820, ZX-AT007835, ANW-28756, BBL037632, SBB046934, STK502522, AKOS000200238, BBV-091018, MCULE-7972050076, OR21897, PS-8580, ACM37920255, AC-18360, AK208817, CC-33837, CJ-33044, SY016938, DB-021435, TR-015354, B1000, FT-0619162, ST50406966, 4 inverted exclamation mark -Butylacetophenone, AZ0001-0184, K-8313, MFCD00017500 (97+%), A824855, C-06159, I01-7645, 1- ETHAN-1-ONE, C12H16O, AR-1L1375, C12-H16-O, CID123470, ZINC02146983, 4'-Butylacetophenone, 99% - 100G 100g, 4001-73-4,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.12g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.259g/mol
Monoisotopic Mass	176.12g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number