AG00IAKQ

596-27-0 | 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-

AG00IAKQ

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CAS Number	596-27-0
Catalog Number	AG00IAKQ(AGN-PC-0JL8QI)
Chemical Name	1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-
EC Number	209-881-8
IUPAC Name	3,3-bis(4-hydroxy-3-methylphenyl)-2-benzofuran-1-one
InChI	InChI=1S/C22H18O4/c1-13-11-15(7-9-19(13)23)22(16-8-10-20(24)14(2)12-16)18-6-4-3-5-17(18)21(25)26-22/h3-12,23-24H,1-2H3
InChI Key	CPBJMKMKNCRKQB-UHFFFAOYSA-N
MDL Number	MFCD00005912
Molecular Formula	C22H18O4
Molecular Weight	346.3759
SMILES	O=C1OC(C2=CC=C(O)C(C)=C2)(C3=CC=C(O)C(C)=C3)C4=C1C=CC=C4
UNII	XOU2D9049G
Synonyms	3,3'-dimethylphenolphthalein, cresolphthalein, o-Cresolphthalein, 596-27-0, Cresolphthalein, 3,3'-Dimethylphenolphthalein, 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-, 3,3-Bis(4-hydroxy-3-methylphenyl)isobenzofuran-1(3H)-one, 3',3''-Dimethylphenolphthalein, o-Cresolphalein, UNII-XOU2D9049G, EINECS 209-881-8, Phenolphthalein, 3',3''-dimethyl-, MFCD00005912, 3,3-Bis(4-hydroxy-m-tolyl)phthalide, BRN 0310554, XOU2D9049G, 3,3-Bis(4-hydroxy-3-methylphenyl)-1(3H)-isobenzofuranone, J-610030, W-105311, 3,3-bis(4-hydroxy-3-methylphenyl)-2-benzofuran-1-one, 3,3-bis(4-hydroxy-3-methylphenyl)-3-hydroisobenzofuran-1-one, AC1L2AVV, AC1Q6HDP, ORTHO-CRESOLPHTHALEIN, 5-18-04-00193 (Beilstein Handbook Reference), MLS000522129, SCHEMBL404777, CHEMBL1443546, DTXSID9060491, CPBJMKMKNCRKQB-UHFFFAOYSA-N, o-Cresolphthalein, indicator grade, EBD42310, ZINC3860290, GT9187, SBB006498, STL453800, AKOS015903192, API0003655, MCULE-4987886347, KS-000010U6, NCGC00245929-01, AJ-45979, AK157742, AN-21572, AS-14836, M785, SC-80713, SMR000132537, ST055879, LS-105079, TR-020667, EU-0098536, FT-0632480, ST24041101, A-8880, A832391, C-30453, 3,3-bis(4-hydroxy-3-methylphenyl)-1-isobenzofuranone, I14-19285, 3,3-bis(4-hydroxy-3-methyl-phenyl)isobenzofuran-1-one, 3,3-bis(3-methyl-4-oxidanyl-phenyl)-2-benzofuran-1-one, 3,3-Bis(4-hydroxy-3-methylphenyl)-2-benzofuran-1(3H)-one, 3,3-Bis(4-hydroxy-3-methylphenyl)-2-benzofuran-1(3H)-one #, o-Cresolphthalein (0.04% in ca. 95% Ethanol) [for pH Determination], InChI=1/C22H18O4/c1-13-11-15(7-9-19(13)23)22(16-8-10-20(24)14(2)12-16)18-6-4-3-5-17(18)21(25)26-22/h3-12,23-24H,1-2H, o-Cresolphthalein 10g, C22H18O4, o-Cresolphthalein-indicator grade, CID68995, AR-1E8756, c0218, c0244, c0404, O-Cresolphthalein (pH Indicator) 5gm, C22-H18-O4, C010092, 84255-21-0, O-Cresolphthalein pH Indicator Solution (pH Transition 8.2( Colorless) To 10.4 (Red) 100ml,

Complexity	506
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	346.121g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	346.382g/mol
Monoisotopic Mass	346.121g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H312-H315-H319-H332-H335-H351
Packing Group	\N
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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