AG003LJA

3160-35-8 | 4-(4-Hydroxyphenyl)but-3-en-2-one

AG003LJA

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CAS Number	3160-35-8
Catalog Number	AG003LJA(AGN-PC-0JM1E6)
Chemical Name	4-(4-Hydroxyphenyl)but-3-en-2-one
EC Number	221-607-9
IUPAC Name	(E)-4-(4-hydroxyphenyl)but-3-en-2-one
InChI	InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+
InChI Key	OCNIKEFATSKIBE-NSCUHMNNSA-N
MDL Number	MFCD00016490
Molecular Formula	C10H10O2
Molecular Weight	162.1852
NSC Number	26516
SMILES	OC1=CC=C(C=C1)C=CC(C)=O
Synonyms	4-hydroxycinnamoyl methane, 4-hydroxycinnamoylmethane, 4-hydroxycinnamoylmethane, (E)-isomer, 4-hydroxycinnamoylmethane, (Z)-isomer, 4-hydroxybenzylideneacetone, p-Hydroxybenzalacetone, 3160-35-8, 4-Hydroxybenzal acetone, 4-Hydroxybenzalacetone, 4-Hydroxycinnamoylmethane, p-Hydroxybenzylidene acetone, 4-(p-Hydroxyphenyl)-3-buten-2-one, 4-(4-Hydroxyphenyl)but-3-en-2-one, 3-Buten-2-one, 4-(4-hydroxyphenyl)-, 3-Buten-2-one, 4-(p-hydroxyphenyl)-, p-hydroxyphenylbut-3-ene-2-one, 22214-30-8, (E)-4-(4-hydroxyphenyl)but-3-en-2-one, MFCD00016490, NSC 26516, (3E)-4-(4-hydroxyphenyl)but-3-en-2-one, 1-(4-Hydroxybenzylidene)acetone, OCNIKEFATSKIBE-NSCUHMNNSA-N, 4(4-hydroxy-phenyl)-but-3-en-2-one, (~{E})-4-(4-hydroxyphenyl)but-3-en-2-one, 4-HYDROXYBENZILIDENE ACETONE, EINECS 221-607-9, AC1LGLMD, 3-Buten-2-one,4-(4-hydroxyphenyl)-, (3E)-, AI3-30539, AI3-35956, AC1Q5CPT, AC1Q1JB7, 3-Buten-2-one, 4-(4-hydroxyphenyl)-, (E)-, 4-Hydroxybenzylidene acetone, CHEMBL9184, 4-Hydroxystyryl methyl ketone, SCHEMBL807859, p-hydroxyphenylbut-3ene-2-one, Methyl P-Hydroxycinnamyl Ketone, DTXSID2062878, CHEBI:68636, CS-B1377, NSC26516, NSC-26516, STL506899, ZINC12341464, AKOS005207153, L730, SC-80308, (E)-4-(4-Hydroxyphenyl)-3-buten-2-one, TC-168783, 4-(4'-hydroxyphenyl)-(e)-3-buten-2-one, C12088, I01-3606, J-018486, 8MK, C10H10O2, AR-1G2801, CID796857, 4-(4-Hydroxyphenyl)-3-buten-2-one, C10-H10-O2, 32917-19-4,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	162.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	162.188g/mol
Monoisotopic Mass	162.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
UN Code

Certificate of Analysis

Lot Number