AG001FHN

14815-59-9 | 1(3H)-Isobenzofuranone, 3-(4-hydroxyphenyl)-3-[4-(phosphonooxy)phenyl]-, compd. with cyclohexanamine (1:2)

AG001FHN

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CAS Number	14815-59-9
Catalog Number	AG001FHN(AGN-PC-0Q1FEA)
Chemical Name	1(3H)-Isobenzofuranone, 3-(4-hydroxyphenyl)-3-[4-(phosphonooxy)phenyl]-, compd. with cyclohexanamine (1:2)
EC Number	238-884-7
IUPAC Name	cyclohexylazanium;[4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenyl] phosphate
InChI	InChI=1S/C20H15O7P.2C6H13N/c21-15-9-5-13(6-10-15)20(18-4-2-1-3-17(18)19(22)26-20)14-7-11-16(12-8-14)27-28(23,24)25;2*7-6-4-2-1-3-5-6/h1-12,21H,(H2,23,24,25);2*6H,1-5,7H2
InChI Key	HANAZWFQWVNYKU-UHFFFAOYSA-N
MDL Number	MFCD00070132
Molecular Formula	C32H41N2O7P
Molecular Weight	596.6509
SMILES	[NH3+]C1CCCCC1.[NH3+]C2CCCCC2.O=P([O-])([O-])OC3=CC=C(C4(C5=CC=C(O)C=C5)OC(C6=C4C=CC=C6)=O)C=C3
Synonyms	14815-59-9, Cyclohexanaminium 4-(1-(4-hydroxyphenyl)-3-oxo-1,3-dihydroisobenzofuran-1-yl)phenyl phosphate, Phenolphthalein monophosphate dicyclohexylammonium salt, PHENOLPHTHALEIN MONOPHOSPHATE DI(CYCLOHEXYLAMMONIUM) SALT, MFCD00070132, SCHEMBL9506497, Jsp002778, CTK8E6602, TD8149, AKOS016010456, TX-017906, 4CH-022128, FT-0637144, Phenolphthalein monophosphate bis-(cyclohexylammonium) salt, Cyclohexanaminium 4-(1-(4-hydroxyphenyl)-3-oxo-1,3-dihydroisobenzo[b]furan-1-yl)phenyl phosphate, C20H15O7P.2C6H13N, EINECS 238-884-7, ACN-051868, C20-H15-O7-P.2C6-H13-N, Phenolphthalein monophosphate bis(cyclohexylammonium)salt, Phenolphthalein monophosphate di(cyclohexylammonium) salt, 90% - 1G 1g, Phenolphthalein, mono(dihydrogen phosphate), compound with cyclohexylamine (1:2), 3,3-Bis(p-hydroxyphenyl)-3H-isobenzofuran-1-one mono(dihydrogen phosphate), compound with cyclohexylamine (1:2),

Complexity	653
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	596.265g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	596.661g/mol
Monoisotopic Mass	596.265g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	174A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

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

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