AG002TL6

15345-89-8 | 2H-Pyran-2-one, 4-methoxy-6-[(1E)-2-phenylethenyl]-

AG002TL6

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CAS Number	15345-89-8
Catalog Number	AG002TL6(AGN-PC-0O4D91)
Chemical Name	2H-Pyran-2-one, 4-methoxy-6-[(1E)-2-phenylethenyl]-
IUPAC Name	4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one
InChI	InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChI Key	DKKJNZYHGRUXBS-BQYQJAHWSA-N
MDL Number	MFCD00221730
Molecular Formula	C14H12O3
Molecular Weight	228.2433
SMILES	O=C1C=C(OC)C=C(/C=C/C2=CC=CC=C2)O1
UNII	F2MBQ8QRUN
Synonyms	Desmethoxyyangonin, 5,6-Dehydrokawain, Demethoxyyangonin, 15345-89-8, UNII-F2MBQ8QRUN, (E)-4-Methoxy-6-styryl-2H-pyran-2-one, 4-Methoxy-6-styryl-2H-pyran-2-one, 5,6-Dehydrokavain, NSC 112161, Desmethoxy Yangonin, F2MBQ8QRUN, trans-5,6-Dehydrokawain, (E)-4-Methoxy-6-(2-phenylethenyl)-2H-pyran-2-one, 2H-Pyran-2-one, 4-methoxy-6-[(1E)-2-phenylethenyl]-, CHEBI:1995, 1952-41-6, 2H-Pyran-2-one, 4-methoxy-6-styryl-, (E)-, 4-methoxy-6-(2-phenylethenyl)-2h-pyran-2-one, 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one, DMY, 2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-, (E)-, 2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-, (E)- (9CI), 5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one, 4-methoxy-6-[(E)-2-phenylvinyl]-2H-pyran-2-one, 4-methoxy-6-[(E)-2-phenylethenyl]-2H-pyran-2-one, CCRIS 9369, Desmethoxyangonin, 5,6-Dehydrokawin, Yangonin, demethoxy-, AC1NRVA2, DSSTox_CID_13390, DSSTox_RID_79070, DSSTox_GSID_33390, SCHEMBL236641, AC1Q69K8, CHEMBL254218, DTXSID4033390, DKKJNZYHGRUXBS-BQYQJAHWSA-N, ZINC899562, 26531-51-1, HY-N0918, NSC68686, Tox21_200296, 8029AH, 9332AF, MFCD00221730, NSC 68686, NSC-68686, NSC112161, AKOS015896811, Desmethoxyyangonin, analytical standard, CCG-208562, CS-4242, MCULE-7908006221, NSC-112161, 4-methoxy-6-[(E)-styryl]pyran-2-one, NCGC00091904-01, NCGC00091904-02, NCGC00257850-01, CC-20905, ZB015163, 4-Methoxy-6-styryl-(E)-2H-Pyran-2-one, CAS-15345-89-8, LS-127466, 4-methoxy-6-[(E)-2-phenylvinyl]-2-pyranone, C09925, 4-methoxy-6-[(E)-2-phenylethenyl]-2-pyranone, 345D898, A809430, SR-05000002195, 2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-, I07-0159, SR-05000002195-2, 4-Methoxy-6-(2-phenylethenyl)-(E)-2H-Pyran-2-one, 4-Methoxy-6-[(1E)-2-phenylethenyl]-2H-pyran-2-one, 2H-Pyran-2-one, 4-methoxy-6-[(E)-2-phenylethenyl]-, NCGC00091904-06!4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one, 5,6-dehydrokawain, (E)-isomer, C14H12O3, AR-1G3106, ACN-047083, C14-H12-O3, CID5273621, C052297, 32004-67-4, DK,

Complexity	371
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	228.079g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.247g/mol
Monoisotopic Mass	228.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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