AG00I91S

50390-76-6 | Benzoic acid, 2-methoxy-5-(methylsulfonyl)-

AG00I91S

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CAS Number	50390-76-6
Catalog Number	AG00I91S(AGN-PC-0JPRLZ)
Chemical Name	Benzoic acid, 2-methoxy-5-(methylsulfonyl)-
EC Number	256-573-4
IUPAC Name	2-methoxy-5-methylsulfonylbenzoic acid
InChI	InChI=1S/C9H10O5S/c1-14-8-4-3-6(15(2,12)13)5-7(8)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key	BXWLVQXAFBWKSR-UHFFFAOYSA-N
MDL Number	MFCD01317544
Molecular Formula	C9H10O5S
Molecular Weight	230.2377
SMILES	O=C(O)C1=CC(S(=O)(C)=O)=CC=C1OC
Synonyms	50390-76-6, 2-Methoxy-5-(methylsulfonyl)benzoic acid, 2-methoxy-5-methylsulfonylbenzoic acid, 5-Mesyl-o-anisic acid, 5-methanesulfonyl-2-methoxybenzoic acid, 2-methoxy-5-methylsulfonyl-benzoic acid, 2-methoxy-5-(methylsulfonyl) benzoic acid, Impurity III, EINECS 256-573-4, AC1L56CQ, SCHEMBL987275, KS-00000MOJ, DTXSID80198439, BXWLVQXAFBWKSR-UHFFFAOYSA-N, ZINC2244023, ANW-44577, MFCD01317544, SBB064090, 2-methoxy 5-methylsulfonylbenzoic acid, 5-methylsulfonyl-2-methoxybenzoic acid, AKOS009306643, MCULE-7104727573, PS-7720, VZ24855, 2-methoxy-5-methylsulfonyl benzoic acid, 2-methoxy-5-methylsulphonylbenzoic acid, AJ-34418, AK-87603, AN-41540, SC-12701, 2-Methoxy-5-(methylsulphonyl)benzoic acid, DB-021280, ST2417013, TC-133322, CS-0041838, FT-0602557, Benzoic acid, 2-methoxy-5-(methylsulfonyl)-, M-1831, 4-Methox+C578y-3-Carboxymethylbenzene Sulponate, 5-METHANESULFONYL-2-METHOXY-BENZOIC ACID, 390M766, A828096, 2-methoxy-5-methylsulfonylbenzoic acid, AldrichCPR, W-105966, Z1551475973, C9H10O5S, 1alpha,25-Dihydroxycholesterol, C9-H10-O5-S, CID170840, 2-Methoxy-5-Methyl Sulfonylbenzoic Acid, 2-Methoxy-5-methyl sulphonylbenzoic acid,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.025g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.234g/mol
Monoisotopic Mass	230.025g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	89A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number