AG00BXRB

3155-48-4 | 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-[(1E)-2-phenylethenyl]-

AG00BXRB

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CAS Number	3155-48-4
Catalog Number	AG00BXRB(AGN-PC-0O8UJB)
Chemical Name	2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-[(1E)-2-phenylethenyl]-
IUPAC Name	4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
InChI	InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+
InChI Key	XEAQIWGXBXCYFX-BQYQJAHWSA-N
MDL Number	MFCD00270446
Molecular Formula	C14H14O3
Molecular Weight	230.2592
SMILES	COC1=CC(OC(C1)C=CC1=CC=CC=C1)=O
Synonyms	cavain, kavain, kavain, (+-)-isomer, kavain, (E)-(+-)-isomer, kavain, (R)-(E)-isomer, kavain, (R)-isomer, kavaine, kawain, Neuronica, Neuronika, kavain, 3155-48-4, DL-KAWAIN, Neuronica, Cavain, DL-Kavain, 1635-33-2, MLS000069449, MFCD00270446, SMR000059008, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, Gonosan, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-styryl-, kavaine, C14H14O3, trans-5,6-Dihydro-4-methoxy-6-(2-phenylethenyl)-2H-pyran-2-one, rac-Kavain, 2,6-Heptadienoic acid, 5-hydroxy-3-methoxy-7-phenyl-, delta-lactone, D,L-Kawin, Kawain, DL-, Kawain (+-)-form, DL-Kavain, primary pharmaceutical reference standard, kavain, (R)-(E)-isomer, CCRIS 9373, EINECS 207-907-2, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, (R-(E))-, D-Kawain, NSC 112162, Prestwick_556, AC1NSSDI, D,L-KAWAIN, (+/-)-Kavain, AC1Q6BDK, Opera_ID_1395, (R)-5,6-Dihydro-4-methoxy-6-styryl-2H-pyran-2-one, (R-(E))-5,6-Dihydro-4-methoxy-6-styryl-2H-pyran-2-one, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-styryl-, (+)-, 4-Methoxy-6-(beta-phenylvinyl)-5,6-dihydro-alpha-pyrone, BSPBio_001184, MLS001148390, SCHEMBL515203, 2H-PYRAN-2-ONE, 5,6-DIHYDRO-4-METHOXY-6-STYRYL-, (R)-, 5-Hydroxy-3-methoxy-7-phenyl-2,6-heptadienoic acid gamma-lactone, DL-Kavain, analytical standard, CHEMBL1482039, CHEBI:91863, XEAQIWGXBXCYFX-BQYQJAHWSA-N, 4-methoxy-6-(2-phenylethenyl)-5,6-dihydro-2h-pyran-2-one, HMS1362L05, HMS1792L05, HMS1990L05, HMS2232L23, HMS3403L05, AKOS015903213, CCG-208228, LS-2119, IDI1_002187, NCGC00018126-02, NCGC00018126-03, NCGC00018126-04, NCGC00089781-02, NCGC00089781-03, ST097626, LS-127434, 4-methoxy-6-styryl-5,6-dihydro-pyran-2-one, 155K484, 4-Methoxy-6-styryl-5,6-dihydro-2H-pyran-2-one, SR-01000003014, J-018461, KAWAIN (KAVA KAVA (CAS: 9000-38-8)), SR-01000003014-4, BRD-A75455249-001-02-0, BRD-A75455249-001-12-9, I14-18787, 4-Methoxy-6-[(E)-styryl]-5,6-dihydro-2H-pyran-2-one, 4-methoxy-6-[(e)-2-phenylethenyl]-5,6-dihydropyran-2-one, 6-((1E)-2-phenylvinyl)-4-methoxy-5H-6-hydropyran-2-one, 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-[(1E)-2-phenylethenyl]-, 2H-Pyran-2-one,5,6-dihydro-4-methoxy-6-[(1E)-2-phenylethenyl]-, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, (E)-(+-)-, Kawain, Kavain, dl-, Neuronika, kavain, (R)-isomer, kavain, (+-)-isomer, UNII-5L1NI60TGB, D0L1WV, 5L1NI60TGB, kavain, (E)-(+-)-isomer, AR-1G3107, C14-H14-O3, CID5369129, C011889, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-styryl-, (.+.)-, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, (E)-(.+.)-, 500-64-1, 51946-14-6,

Complexity	324
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	230.094g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.263g/mol
Monoisotopic Mass	230.094g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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