AG003K3W

1080-12-2 | 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one

AG003K3W

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CAS Number	1080-12-2
Catalog Number	AG003K3W(AGN-PC-0CPR3T)
Chemical Name	4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one
EC Number	214-096-9
FEMA Number	3738
IUPAC Name	(E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one
InChI	InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+
InChI Key	AFWKBSMFXWNGRE-ONEGZZNKSA-N
MDL Number	MFCD00012210
Molecular Formula	C11H12O3
Molecular Weight	192.2112
SMILES	CC(/C=C/C1=CC=C(O)C(OC)=C1)=O
UNII	8CJX5I27B7
Synonyms	4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one, 4-hydroxy-3-methoxybenzalacetone, dehydrozingerol, dehydrozingerone, methyl-3-methoxy-4-hydroxystyryl ketone, methyl-3-methoxy-4-hydroxystyryl ketone, (E)-iosmer, MMHSK, vanillidene acetone, Dehydrozingerone, 1080-12-2, Feruloylmethane, 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one, Vanillalacetone, Dehydro(O)-paradol, MHSK, Dehydrogingerone, Vanylidenacetone, 3-BUTEN-2-ONE, 4-(4-HYDROXY-3-METHOXYPHENYL)-, (O)-Paradol, dehydro-, Vanillidene acetone, 3-Methoxy-4-hydroxybenzalacetone, (O)-Dehydroparadol, 4-Hydroxy-3-methoxystyryl methyl ketone, NSC 4019, NSC 5316, UNII-8CJX5I27B7, Vanillylidene acetone, Vanillylideneacetone, 4-Hydroxy-3-methoxybenzylideneacetone, NSC 26613, NSC 44708, (0)-Dehydroparadol, FEMA No. 3738, Methyl-3-methoxy-4-hydroxy styryl ketone, NSC-4019, NSC-5316, EINECS 214-096-9, NSC 45411, NSC-44708, NSC-45411, BRN 2049660, Methyl-3-methoxy-4-hydroxystyryl ketone, AI3-01934, 8CJX5I27B7, CHEMBL106509, CHEBI:81361, Vanillylidenacetone, AFWKBSMFXWNGRE-ONEGZZNKSA-N, [0]-Dehydroparadol, MFCD00012210, (E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one, [0]-Paradol, dehydro-, dehydrozingerol, AE-562/43459152, W-200772, (E)-4-(4-hydroxy-3-methoxy-phenyl)but-3-en-2-one, 22214-42-2, C11H12O3, 4-hydroxy-3-methoxybenzalacetone, AK135171, MMHSK, (3E)-4-(4-Hydroxy-3-methoxyphenyl)but-3-en-2-one, 3-Buten-2-one,4-(4-hydroxy-3-methoxyphenyl)-, (E)-2-Methoxy-4-(3-oxo-1-butenyl)phenol, AC1NS57G, 2-08-00-00326 (Beilstein Handbook Reference), SCHEMBL498223, ZINC8046, DTXSID2061480, Vanillylidenacetone, >=98.5%, 3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-, (E)-, NSC4019, NSC5316, NSC26613, NSC44708, NSC45411, BDBM50195679, NSC-26613, AKOS004909556, DS-4905, FCH5479239, Vanillylidenacetone, analytical standard, AJ-08309, AN-19685, BBV-38737560, LS-47310, ZB000663, AX8090618, TC-104629, ST24042954, C17840, 4-(4-Hydroxy-3-methoxy-phenyl)-but-3-en-2-one, 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one #, C-49429, I14-44563, (E)-4-(4-Hydroxy-3-methoxy-phenyl)-but-3-en-2-one, Dehydro(0)-paradol, (0)-Paradol, dehydro-, D05GRI, C11-H12-O3, CID5354238, H0996, 3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-, (3E)-, DZ,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	192.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.214g/mol
Monoisotopic Mass	192.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number