AG002BQT

19879-32-4 | 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-, (2S)-

AG002BQT

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CAS Number	19879-32-4
Catalog Number	AG002BQT(AGN-PC-0WACH9)
Chemical Name	4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-, (2S)-
IUPAC Name	(2S)-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
InChI	InChI=1S/C20H20O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-10,19,21-22H,4,11H2,1-2H3/t19-/m0/s1
InChI Key	OAUREGNZECGNQS-IBGZPJMESA-N
MDL Number	MFCD11617359
Molecular Formula	C20H20O4
Molecular Weight	324.3704
SMILES	C/C(C)=CCC1=CC(C(C[C@@](O2)([H])C3=CC=C(O)C=C3)=O)=C2C=C1O
Synonyms	bavachin, Bavachin, 19879-32-4, CORYFOLIN, CHEMBL469444, SCHEMBL4223610, HY-N0233, MFCD11617359, ZINC15115057, AKOS032962062, CS-6113, W1593, 879B324, 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-, (2S)-, Corylifolin, C20H20O4, ACN-047481,

Complexity	474
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	324.136g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	324.376g/mol
Monoisotopic Mass	324.136g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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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