AG002KG6

209861-01-8 | 2H-Cyclopenta[b]furan-2-one, 4-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]hexahydro-5-hydroxy-, (3aR,4R,5R,6aS)-

AG002KG6

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CAS Number	209861-01-8
Catalog Number	AG002KG6(AGN-PC-0QWXD1)
Chemical Name	2H-Cyclopenta[b]furan-2-one, 4-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]hexahydro-5-hydroxy-, (3aR,4R,5R,6aS)-
IUPAC Name	(3aR,4R,5R,6aS)-4-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
InChI	InChI=1S/C17H18F2O4/c18-17(19,10-22-11-4-2-1-3-5-11)7-6-12-13-8-16(21)23-15(13)9-14(12)20/h1-7,12-15,20H,8-10H2/b7-6+/t12-,13-,14-,15+/m1/s1
InChI Key	SJHMQXMERUQDSR-BNBDNKSYSA-N
MDL Number	MFCD09833710
Molecular Formula	C17H18F2O4
Molecular Weight	324.3192
SMILES	[H][C@]12C[C@@H](O)[C@H](C=CC(F)(F)COC3=CC=CC=C3)[C@@]1([H])CC(=O)O2
Synonyms	209861-01-8, (3aR,4R,5R,6aS)-4-((E)-3,3-Difluoro-4-phenoxybut-1-en-1-yl)-5-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one, 2H-Cyclopenta[b]furan-2-one, 4-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]hexahydro-5-hydroxy-, (3aR,4R,5R,6aS)-, AK101696, SCHEMBL7598702, C17H18F2O4, 0734AB, ZINC22011900, AKOS016004219, DS-3735, RP17659, AC-28193, AJ-80497, AX8233235, TC-151504, ST24034426, J-501137, (1R)-2beta-(3,3-Difluoro-4-phenoxy-1-butenyl)-3alpha,5alpha-dihydroxycyclopentane-1alpha-acetic acid 1,5-lactone, (3aR,4R,5R,6aS)-4-((E)-3,3-difluoro-4-phenoxybut-1-enyl)-5-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one, (3aR,4R,5R,6aS)-4-(3,3-difluoro-4-phenoxybut-1-enyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one, ACN-041403, (3aR,4R,5R,6aS)-4-[(1E)-3,3-Difluoro-4-phenoxy-1-butenyl]hexahydro-5-hydroxy-2H-cyclopenta[b]furan-2-one,

Complexity	460
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	1
Exact Mass	324.117g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	324.324g/mol
Monoisotopic Mass	324.117g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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