AG005S94

97042-18-7 | 4-((4-(Allyloxy)phenyl)sulfonyl)phenol

AG005S94

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CAS Number	97042-18-7
Catalog Number	AG005S94(AGN-PC-0KBLY6)
Chemical Name	4-((4-(Allyloxy)phenyl)sulfonyl)phenol
EC Number	479-880-7
IUPAC Name	4-(4-prop-2-enoxyphenyl)sulfonylphenol
InChI	InChI=1S/C15H14O4S/c1-2-11-19-13-5-9-15(10-6-13)20(17,18)14-7-3-12(16)4-8-14/h2-10,16H,1,11H2
InChI Key	FKZIDBGIZLBDDF-UHFFFAOYSA-N
MDL Number	MFCD00551852
Molecular Formula	C15H14O4S
Molecular Weight	290.3343
SMILES	OC1=CC=C(S(=O)(C2=CC=C(OCC=C)C=C2)=O)C=C1
Synonyms	4-((4-(Allyloxy)phenyl)sulfonyl)phenol, 97042-18-7, AK122865, 4-(4-prop-2-enoxyphenyl)sulfonylphenol, BIS-MAE, AC1M0Q3Y, Oprea1_052713, SCHEMBL26900, CBDivE_010770, C15H14O4S, KS-00000R5L, ZINC2472207, 6802AC, MFCD00551852, AKOS001026790, DS-6756, MCULE-5091023471, AJ-35914, AX8247043, AB00074681-01, Phenol, 4-[[4-(2-propenyloxy)phenyl]sulfonyl]-, Z56759351, 4-[4-(PROP-2-EN-1-YLOXY)BENZENESULFONYL]PHENOL, F0701-0104, Bps-mae, 4-[[4- phenyl]sulfonyl]phenol, ZINC02472207, 4-(4-Allyloxy-benzenesulfonyl)-phenol, CID2054598, EC 479-880-7,

Complexity	396
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.061g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	290.333g/mol
Monoisotopic Mass	290.061g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	72A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number