AG000943

1136-86-3 | Ethanone, 1-(3,4,5-trimethoxyphenyl)-

AG000943

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CAS Number	1136-86-3
Catalog Number	AG000943(AGN-PC-0JKBOX)
Chemical Name	Ethanone, 1-(3,4,5-trimethoxyphenyl)-
EC Number	214-501-9
IUPAC Name	1-(3,4,5-trimethoxyphenyl)ethanone
InChI	InChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3
InChI Key	VUGQIIQFXCXZJU-UHFFFAOYSA-N
MDL Number	MFCD09263436
Molecular Formula	C11H14O4
Molecular Weight	210.2265
NSC Number	30099
SMILES	CC(C1=CC(OC)=C(OC)C(OC)=C1)=O
Synonyms	3',4',5'-TMA, 3',4',5'-trimethoxyacetophenone, 3',4',5'-Trimethoxyacetophenone, 1136-86-3, 1-(3,4,5-TRIMETHOXYPHENYL)ETHANONE, 3,4,5-Trimethoxyacetophenone, Ethanone, 1-(3,4,5-trimethoxyphenyl)-, MFCD00008738, 1-(3,4,5-trimethoxyphenyl)ethan-1-one, VUGQIIQFXCXZJU-UHFFFAOYSA-N, (3,4,5-Trimethoxy)acetophenone, EINECS 214-501-9, NSC 30099, ZINC00057170, PubChem22820, ACMC-1C5OS, bmse010088, AC1Q47MQ, (3,5-Trimethoxy)acetophenone, SCHEMBL290542, AC1L23N7, BDBM81968, CHEBI:86547, CTK4A8403, ZINC57170, DTXSID30150481, 1-acetyl-3,4,5-trimethoxybenzene, ACT07863, NSC30099, 2319AA, 3,4,5-Trimethoxy-1-acetyl benzene, ANW-16653, BBL034657, NSC-30099, STL415950, Acetophenone, 3',4',5'-trimethoxy, AKOS000119391, MCULE-3610198972, NE10604, TMA,3,4,5-, VZ25240, 1-(3,4,5-Trimethoxyphenyl)ethanone #, Ethanone,1-(3,4,5-trimethoxyphenyl)-, 1-(3,4,5-trimethoxyphenyl)-1-ethanone, 3',4',5'-Trimethoxyacetophenone, 98%, AC-23726, AJ-09622, AN-48695, AS-48162, ZB002022, CAS_1136-86-3, DB-022819, TC-105398, TL8007313, AM20080566, FT-0614156, ST24032162, ST50307933, Ethanone, 1-(3,4,5-trimethoxyphenyl)- (9CI), A803082, SR-01000039809, J-003003, SR-01000039809-1, I01-10146, Z56889007, F0850-6776, InChI=1/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H, Ethanone,4,5-trimethoxyphenyl)-, C11H14O4, CID14345, 3/',4/',5/'-Trimethoxyacetophenone, C11-H14-O4, ACETOPHENONE, 3,4,5-TRIMETHOXY-, T0898,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.089g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.229g/mol
Monoisotopic Mass	210.089g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number