AG0024IZ

17625-03-5 | Benzoic acid, 3-sulfo-, sodium salt (1:1)

AG0024IZ

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CAS Number	17625-03-5
Catalog Number	AG0024IZ(AGN-PC-0QAWUA)
Chemical Name	Benzoic acid, 3-sulfo-, sodium salt (1:1)
EC Number	241-602-5
IUPAC Name	sodium;3-sulfobenzoate
InChI	InChI=1S/C7H6O5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-1
InChI Key	KQHKITXZJDOIOD-UHFFFAOYSA-M
MDL Number	MFCD00066378
Molecular Formula	C7H5NaO5S
Molecular Weight	224.1664
SMILES	O=C([O-])C1=CC=CC(S(=O)(O)=O)=C1.[Na+]
Synonyms	Sodium 3-sulfobenzoate, 17625-03-5, 3-Sulfobenzoic acid monosodium salt, Benzoic acid, 3-sulfo-, monosodium salt, Benzoic acid, 3-sulfo-, sodium salt (1:1), MFCD00066378, Sodium hydrogen m-sulphonatobenzoate, EINECS 241-602-5, Sodium3-sulfobenzoate, sodium m-sulfobenzoate, C7H5NaO5S, ACMC-209sh5, 3-(Sodiosulfo)benzoic acid, AC1Q1W4P, KSC491E3L, Jsp003619, DTXSID7066227, CTK3J1235, KS-00000VAR, KQHKITXZJDOIOD-UHFFFAOYSA-M, ANW-41175, AKOS016009739, RTR-008028, TRA-0184740, AK114242, 3-Sulfobenzenecarboxylic acid 1-sodium salt, FT-0616387, S0126, I01-20208, C7H6O5S.Na, C7-H6-O5-S.Na, CID87195, AR-1L4771, 178980-30-8,

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.976g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.162g/mol
Monoisotopic Mass	223.976g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
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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