AG003GA3

3420-72-2 | 1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one

AG003GA3

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CAS Number	3420-72-2
Catalog Number	AG003GA3(AGN-PC-0R9LCQ)
Chemical Name	1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
IUPAC Name	(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
InChI	InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3/b9-6+
InChI Key	CGIBCVBDFUTMPT-RMKNXTFCSA-N
MDL Number	MFCD00017174
Molecular Formula	C18H18O5
Molecular Weight	314.3325
NSC Number	37445
SMILES	O=C(C1=C(OC)C=C(OC)C=C1O)/C=C/C2=CC=C(OC)C=C2
Synonyms	flavokavin A, flavokawain A, Flavokawain A, 3420-72-2, 2'-Hydroxy-4,4',6'-trimethoxychalcone, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, Flavokavain A, MLS002608040, (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, 37951-13-6, (2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, flavokavin A, MFCD00017174, (E)-1-(2-hydroxy-4,6-dimethoxy-phenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, AC1NS7J0, CHEMBL243829, SCHEMBL2289181, SCHEMBL2289188, CGIBCVBDFUTMPT-RMKNXTFCSA-N, NSC37445, ZINC4100760, BDBM50360495, NSC-37445, AKOS015915333, 4CN-1095, AJ-48054, AK112319, AN-25312, SMR001490973, ST059924, AX8075609, ST24037115, W1242, 2'-Hydroxy-4,4',6'-trimethoxychalcone, 98%, J-019499, I14-54591, 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-, 2 inverted exclamation marka-Hydroxy-4,4 inverted exclamation marka,6 inverted exclamation marka-trimethoxychalcone, C18H18O5, ACN-047644, CID5355469, 2/'-Hydroxy-4,4/',6/'-trimethoxychalcone, C500809, 64680-84-8,

Complexity	400
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	314.115g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	314.337g/mol
Monoisotopic Mass	314.115g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	65A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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

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