AG0004GC

101418-00-2 | Benzenesulfonic acid, 2-hydroxy-4-methyl-, polymer with formaldehyde

AG0004GC

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CAS Number	101418-00-2
Catalog Number	AG0004GC(AGN-PC-0OQN5F)
Chemical Name	Benzenesulfonic acid, 2-hydroxy-4-methyl-, polymer with formaldehyde
IUPAC Name	2-hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid
InChI	InChI=1S/C23H24O12S3/c1-11-4-18(24)20(36(27,28)29)8-14(11)6-16-10-22(38(33,34)35)23(26)17(13(16)3)7-15-9-21(37(30,31)32)19(25)5-12(15)2/h4-5,8-10,24-26H,6-7H2,1-3H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)
InChI Key	ACZKMKGNTMOPBD-UHFFFAOYSA-N
MDL Number	MFCD00869035
Molecular Formula	C10H14NO4S
Molecular Weight	244.2875
SMILES	CC1=C(C)C(O)=C(S(=O)(O)=O)C=C1CC.[n]
Synonyms	Albocresil, Albothyl, formaldehyde - meta-cresolsulfonic acid, formaldehyde, meta-cresolsulfonic acid drug combination, Lotagen, Negatan, Negatol, Novugen, policresulen, Vagothyl, Policresulen, 101418-00-2, Dihydroxydimethyldiphenylmethanedisulphonic acid polymer, Q-100023, 2-Hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfo-phenyl)methyl]-4-methyl-benzenesulfonic acid, 2-hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid, UNII-6I19M5GB0G, Policresulene, Policresuleno, Policresulenum, Policresulen 50%, AC1MHF9U, 6I19M5GB0G, SCHEMBL1070408, DTXSID70143913, ACT04770, BCP22334, EBD48156, ZINC4217339, FC1272, Acidum polymethylen m-cresolsulfonicum, AKOS015897324, AN-9463, API0010386, AT-21095, CC-33856, SC-19193, BCP0726000010, TL8000093, FT-0631012, m-Cresolsulfonsaeure-Formaldehyd-Polykondensat, 418P002, C-23293, formaldehyde,2-(hydroxymethyl)benzenesulfonic acid, I09-0611, 2-Hydroxy-p-toluolsulfonsaeure Polymer mit Formaldehyd, 2-Hydroxy-p-toluenesulfonic acid polymer with formaldehyde, 2-Hydroxy-p-toluenesulfonic acid, polymer with formaldehyde, 5,5'-(4-hydroxy-2-methyl-5-sulfo-1,3-phenylene)bis(methylene)bis(2-hydroxy-4-methylbenzenesulfonic acid), Dihydroxydimethyldiphenylmethanedisulphonic acid polymer, Antibiotic for Culture Media Use Only, Policresulen [INN], CID3050404, (C8-H9-O4-S) X (C8-H8-O4-S)n X (C7-H7-O4-S), Benzenesulfonic acid, 2-hydroxy-4-methyl-, polymer with formaldehyde, 9011-02-3,

Complexity	1140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	588.043g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	588.613g/mol
Monoisotopic Mass	588.043g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	249A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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

Lot Number