AG002H67

1887-02-1 | 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-, sodium salt (1:2)

AG002H67

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CAS Number	1887-02-1
Catalog Number	AG002H67(AGN-PC-0QHXFV)
Chemical Name	2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-, sodium salt (1:2)
EC Number	217-557-2
IUPAC Name	disodium;4,6-dihydroxy-2,5-dioxocyclohexa-3,6-diene-1,3-diolate
InChI	InChI=1S/C6H4O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h7-8,11-12H;;/q;2*+1/p-2
InChI Key	SOSMJTGSYNGZAV-UHFFFAOYSA-L
MDL Number	MFCD00036127
Molecular Formula	C6H6Na2O6
Molecular Weight	220.0878
SMILES	O=C1C([O-])C([O-])C(=O)C(O)C1(O).[Na+].[Na+]
UNII	IOZ23KE65J
Synonyms	tetrahydroxy-1,4-benzoquinone, tetrahydroxy-1,4-benzoquinone disodium salt, 1887-02-1, Tetrahydroxy-1,4-benzoquinone Disodium Salt, Sodium 4,5-Dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,2-bis(olate), Tetrahydroxy-p-benzoquinone disodium salt, UNII-IOZ23KE65J, Tetroquinone disodium derivative, 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-, disodium salt, IOZ23KE65J, Tetrahydroxyquinone Disodium Salt, NCI 974, Tetrahydroxyquinone, disodium salt, 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-, sodium salt (1:2), Tetrahydroxyquinone disodium derivative, M 122, disodium 4,6-dihydroxy-2,5-dioxocyclohexa-3,6-diene-1,3-diolate, 2,5-Cyclohexadiene-1,4-dione,2,3,5,6-tetrahydroxy-, sodium salt (1:2), Tetroquinone disodium, 18905-34-5, Tetrahydroxyquinone disodium, EINECS 217-557-2, NSC 33520, C6H2Na2O, p-Benzoquinone, tetrahydroxy-, disodium deriv., AC1L2MF6, AC1Q1UQ2, 2,3,5,6-Tetrahydroxy-1,4-benzoquinone, disodium salt, DTXSID7062037, CTK4E0008, KS-00000H5V, MFCD00036127, AKOS025117581, AN-1687, RL02391, VZ20005, ACM1887021|1, AK544212, BC231619, SC-66722, Tetrahydroxy-p-benzoquinone diisodium salt, FT-0690194, X4746, C-51972, J-524885, p-Benzoquinone, 2,3,5,6-tetrahydroxy-, disodium salt (8CI), disodium 4,6-dihydroxy-2,5-dioxo-cyclohexa-3,6-diene-1,3-diolate, 2,5-Cyclohexadiene-1,4-dione,2,3,5,6-tetrahydroxy-, potassium salt (1:2), C6H4O6.2Na, Tetrahydroxy-1,4-benzoquinone, C6-H4-O6.2Na, C6H4O6.2K, C6-H4-O6.2K, CID74675, AR-1I6491, T0122, p-Benzoquinone, 2,3,5,6-tetrahydroxy-, disodium salt, 19301-39-4,

Complexity	304
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.965g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	216.056g/mol
Monoisotopic Mass	215.965g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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