AG002PEZ

2478-38-8 | Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-

AG002PEZ

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CAS Number	2478-38-8
Catalog Number	AG002PEZ(AGN-PC-0JKDBO)
Chemical Name	Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-
EC Number	219-610-5
IUPAC Name	1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
InChI	InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3
InChI Key	OJOBTAOGJIWAGB-UHFFFAOYSA-N
MDL Number	MFCD00008748
Molecular Formula	C10H12O4
Molecular Weight	196.1999
SMILES	OC1=C(C=C(C=C1OC)C(C)=O)OC
UNII	866P45Y84S
Synonyms	acetosyringenin, acetosyringone, Acetosyringone, 2478-38-8, 3',5'-Dimethoxy-4'-hydroxyacetophenone, 1-(4-Hydroxy-3,5-dimethoxyphenyl)ethanone, 4'-HYDROXY-3',5'-DIMETHOXYACETOPHENONE, 3,5-Dimethoxy-4-hydroxyacetophenone, Acetosyringon, Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-, Acetosyringenin, 1-(4-hydroxy-3,5-dimethoxyphenyl)ethan-1-one, Acetophenone, 4'-hydroxy-3',5'-dimethoxy-, MFCD00008748, CCRIS 7286, UNII-866P45Y84S, 4-hydroxy-3,5-dimethoxyacetophenone, EINECS 219-610-5, 4-Hydroksy-3',5'-dwumetoksyacetofenon, BRN 1966119, Acetophenone, 3,5-dimethoxy-4-hydroxy-, CHEBI:2404, OJOBTAOGJIWAGB-UHFFFAOYSA-N, 4-Hydroksy-3',5'-dwumetoksyacetofenon [Polish], 866P45Y84S, 1-(4-Hydroxy-3,5-dimethoxy-phenyl)-ethanone, 3',5'-Dimethoxy-4'-hydroxyacetophenone, 97%, 1-acetyl-4-hydroxy-3,5-dimethoxybenzene, 4-acetylsyringol, Spectrum_001915, ACMC-209gen, SpecPlus_000955, AC1Q5DJC, Spectrum2_000429, Spectrum3_001115, Spectrum4_001953, Spectrum5_000695, bmse000576, bmse010032, AC1L29IZ, AC1Q47JK, AC1Q47JL, SCHEMBL15511, BSPBio_002850, KBioGR_002389, KBioSS_002457, SPECTRUM300610, KSC496O9N, MLS002207209, DivK1c_007051, 4-acetyl-2,6-dimethoxyphenol, SPBio_000418, CHEMBL224146, Jsp004937, DTXSID2062454, CTK3J6796, KBio1_001995, KBio2_002450, KBio2_005018, KBio2_007586, KBio3_002070, Phenol, 4-acetyl-2,6-dimethoxy, ZINC156899, KS-00000ZW1, ANW-25533, BBL101364, CCG-39967, SBB071453, STL555160, 4-Hydroxy-3,5-dimethoxyacetophennone, AKOS005258861, 3',5-Dimethoxy-4'-hydroxyacetophenone, CS-W010600, HY-W009884, MCULE-7881518363, RTR-011399, SDCCGMLS-0066948.P001, NCGC00095819-01, NCGC00095819-02, 3', 5'-dimethoxy-4'-hydroxyacetophenone, AJ-13905, AN-50981, CJ-01556, L910, LS-13513, SMR000112388, ST093688, ZB006467, AB0014955, AB1004202, DB-022069, TR-011399, 1-(4-hydroxy-3,5-dimethoxy-phenyl)ethanone, A5075, D2666, FT-0634308, 1-(3,5-dimethoxy-4-oxidanyl-phenyl)ethanone, 4'-Hydroxy-3',5'-dimethoxyacetophenone, 97%, C10664, K-6581, 478D388, A817490, SR-05000002436, A1-00327, Acetophenone, 4'-hydroxy-3',5'-dimethoxy- (8CI), I01-8777, SR-05000002436-1, W-107282, BRD-K66643401-001-02-4, BRD-K66643401-001-04-0, Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)- (9CI), Z2418193700, 4 inverted exclamation marka-Hydroxy-3 inverted exclamation marka,5 inverted exclamation marka-dimethoxyacetophenone; Acetosyringone, InChI=1/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H, Acetosyringenin<!--, C10H12O4, CID17198, ACN-035723, C10-H12-O4, 4'-Hydroxy-3',5'-dimethoxyacetophenon, 4-08-00-02735 (Beilstein Handbook Reference), 1-(3,5-Dimethoxy-4-hydroxyphenyl)-1-ethanon, 3',5'-Dimethoxy-4'-hydroxyacetophenone, 98% - 1G 1g,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.074g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.202g/mol
Monoisotopic Mass	196.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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

Lot Number