AG002KOR

2103-64-2 | Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',4',5',6'-tetrahydroxy-

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CAS Number	2103-64-2
Catalog Number	AG002KOR(AGN-PC-0QX9NT)
Chemical Name	Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',4',5',6'-tetrahydroxy-
EC Number	218-272-6
IUPAC Name	3',4',5',6'-tetrahydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI	InChI=1S/C20H12O7/c21-13-7-5-11-17(15(13)23)26-18-12(6-8-14(22)16(18)24)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,21-24H
InChI Key	PHLYOKFVXIVOJC-UHFFFAOYSA-N
MDL Number	MFCD00150626
Molecular Formula	C20H12O7
Molecular Weight	364.3051
SMILES	O=C1OC2(C3=C(OC4=C2C=CC(O)=C4O)C(O)=C(O)C=C3)C5=C1C=CC=C5
UNII	8L0084U2QR
Synonyms	gallein, Gallein, 2103-64-2, Alizarin violet, Pyrogallolphthalein, 3',4',5',6'-Tetrahydroxy-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one, Mordant violet 25, C.I. Mordant Violet 25, 4,5-Dihydroxyfluorescein, Callein, Alizarine violet, C.I. 45445, UNII-8L0084U2QR, Fluorescein, 4',5'-dihydroxy-, NSC8668, 8L0084U2QR, NSC 8668, NSC56445, 3',4',5',6'-Tetrahydroxyfluoran, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',4',5',6'-tetrahydroxy-, NSC 56445, NSC622478, NSC 622478, Fluoran, 3',4',5',6'-tetrahydroxy-, Fluorescein,5'-dihydroxy-, W-107581, Fluoran,4',5',6'-tetrahydroxy-, 3',4',5',6'-Tetrahydroxyspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one, Spiro[isobenzofuran-1(3H), 3',4',5',6'-tetrahydroxy-, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',4',5',6'-tetrahydroxy-, Gallein (8CI), AC1L2KAS, AC1Q6PCI, SCHEMBL334144, DTXSID5062180, CHEBI:88294, KS-00000YFB, PHLYOKFVXIVOJC-UHFFFAOYSA-N, NSC-8668, ZINC4416138, EINECS 218-272-6, BS0301, MFCD00041839, NSC-56445, AKOS015903075, ACM2103642, NSC-622478, AJ-51074, AN-19840, AI3-63042, AX8131803, A0601, B7271, FT-0603588, ST24028148, I14-18554, 3',4',5',6'-tetrahydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one, 3',4',5',6'-tetrahydroxyspiro[isobenzofuran-3,9'-xanthene]-1-one, 3',4',5',6'-tetrahydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one, 3',4',5',6'-Tetrahydroxyspiro[isobenzofuran-1(3H),9'-(9H)xanthen]-3-one, Spiro(isobenzofuran-1(3),9'-(9H)xanthen)-3-one, 3',4',5',6'-tetrahydroxy-, 52413-17-9, Pyrogallolphthalein: 12,13,14,15-Tetrahydroxyspiro[3-hydroisobenzofuran-3,9'-xanthene]-1-one, Pyrogallol phthalein, D0XN2L, CID73685, AR-1J1139, NSC158916, M-119, G protein beta gamma subunit inhibitors (heart failure), G protein beta gamma subunit inhibitors (heart failure), Califia/URMC, 5340-14-7,

Complexity	579
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	364.058g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	364.309g/mol
Monoisotopic Mass	364.058g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	116A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number