AG00ID5J

81-04-9 | 1,5-Naphthalenedisulfonic acid

AG00ID5J

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CAS Number	81-04-9
Catalog Number	AG00ID5J(AGN-PC-0JK7OT)
Chemical Name	1,5-Naphthalenedisulfonic acid
IUPAC Name	naphthalene-1,5-disulfonic acid
InChI	InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
InChI Key	XTEGVFVZDVNBPF-UHFFFAOYSA-N
MDL Number	MFCD28167991
Molecular Formula	C10H8O6S2
Molecular Weight	288.2969
NSC Number	9588
SMILES	O=S(C1=C2C=CC=C(S(=O)(O)=O)C2=CC=C1)(O)=O
UNII	E8FPK78470
Synonyms	1,5-naphthalenedisulfonic acid, 1,5-NAPHTHALENEDISULFONIC ACID, Naphthalene-1,5-disulfonic acid, 81-04-9, Armstrong's acid, Armstrong's S acid, 1,5-Naphthylene disulfonic acid, Naphthalene-1,5-disulphonic acid, UNII-E8FPK78470, 1,5-Naphthalene Disulfonic Acid, NSC 9588, EINECS 201-317-9, BRN 0619838, XTEGVFVZDVNBPF-UHFFFAOYSA-N, E8FPK78470, Q-102773, 1,5-NaphthalenedisulfonicAcid, 21D, AC1L1N1D, SCHEMBL6242, CBDivE_012757, 4-11-00-00561 (Beilstein Handbook Reference), KSC448G5H, 1,5 naphthalenedisulfonic acid, 1,5-napthalene disulfonic acid, 1,5-naphthalenedisulphonic acid, DTXSID5046982, naphthalene 1,5-disulfonic acid, CHEBI:30890, CTK3E8353, KS-00000VYA, 1,5-naphthalene disulphonic acid, NSC9588, NSC-9588, ZINC1605332, ANW-73302, MFCD00003996, STK016233, AKOS002378778, MCULE-9163528685, OR51835, RP29980, RTR-037889, 29-68-5, AC-11268, AJ-28108, AK101120, AN-20672, AN-29732, AS-12837, LS-94620, SC-57879, AX8054981, DB-028867, ST2413622, TR-037889, FT-0622474, N0763, A840027, I09-0617, I09-1253, C10H8O6S2, CID6666, C10-H8-O6-S2, 1,5-Naphthalenedisulfonic acid tetrahydrate, 211366-30-2,

Complexity	450
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	287.976g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	288.288g/mol
Monoisotopic Mass	287.976g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	126A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H314-H318
Precuationary statements	P260-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310
Siginal words

Certificate of Analysis

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