AG002FA2

19152-36-4 | 2-Propen-1-one, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)-

AG002FA2

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CAS Number	19152-36-4
Catalog Number	AG002FA2(AGN-PC-0KL788)
Chemical Name	2-Propen-1-one, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)-
IUPAC Name	3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
InChI	InChI=1S/C17H16O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-11,18H,1-2H3
InChI Key	MFLSRHQHCDTOGH-UHFFFAOYSA-N
MDL Number	MFCD00017630
Molecular Formula	C17H16O4
Molecular Weight	284.3065
SMILES	O=C(C1=CC=CC=C1O)/C=C/C2=CC=C(OC)C(OC)=C2
Synonyms	19152-36-4, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one, 2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)-, AC1MDSA8, CTK2G4489, CTK4E0687, KS-00003SZM, AKOS030229546, MCULE-7523745166, AK391305, DB-044768, FT-0637800, 3-(3,4-dimethoxy phenyl)-1-(2-hydroxy phenyl)-2-propen-1-one, 2-Propen-1-one, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)-, (E)-, 79140-20-8, 3,4-Dimethoxy-2'-hydroxychalcone, ZINC04252584, CID2794956,

Complexity	366
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	284.105g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	284.311g/mol
Monoisotopic Mass	284.105g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	1
XLogP3	3.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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