AG003ROC

62140-67-4 | Methyl 5-(Ethylsulfonyl)-2-methoxybenzoate

AG003ROC

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CAS Number	62140-67-4
Catalog Number	AG003ROC(AGN-PC-0LTNKE)
Chemical Name	Methyl 5-(Ethylsulfonyl)-2-methoxybenzoate
EC Number	263-429-4
IUPAC Name	methyl 5-ethylsulfonyl-2-methoxybenzoate
InChI	InChI=1S/C11H14O5S/c1-4-17(13,14)8-5-6-10(15-2)9(7-8)11(12)16-3/h5-7H,4H2,1-3H3
InChI Key	UUARTHQJSZTOEM-UHFFFAOYSA-N
MDL Number	MFCD01317547
Molecular Formula	C11H14O5S
Molecular Weight	258.2909
SMILES	O=C(OC)C1=CC(S(=O)(CC)=O)=CC=C1OC
Synonyms	62140-67-4, Methyl 5-(Ethylsulfonyl)-2-methoxybenzoate, METHYL 2-METHOXY-5-(ETHYLSULFONYL)BENZOATE, Methyl 5-(ethylsulphonyl)-o-anisate, methyl 5-ethylsulfonyl-2-methoxy-benzoate, Methyl 5-(ethylsulfonyl)-o-anisate, methyl 5-ethylsulfonyl-2-methoxybenzoate, methyl 5-(ethanesulfonyl)-2-methoxybenzoate, 5-ethylsulfonyl-2-methoxybenzoic acid methyl ester, W-105042, EINECS 263-429-4, ACMC-1BDRI, DSSTox_CID_31576, DSSTox_RID_97461, DSSTox_GSID_57787, AC1O597V, CHEMBL3561051, DTXSID7057787, CTK5B4402, KS-000013YB, ZINC2244026, ZX-AT007528, Tox21_113858, ANW-34076, MFCD01317547, OR3571, SBB066405, AKOS015897338, AB08557, PS-7383, VZ32549, NCGC00253741-01, AJ-34421, AK-93038, AN-39166, CC-30416, SC-58200, Methyl5-(Ethylsulfonyl)-2-methoxybenzoate, AX8013287, CAS-62140-67-4, DB-054074, TC-122821, FT-0640810, M1975, ST24031122, A827528, A833605, C-16086, METHYL 2-METHOXYL-5-ETHYLSULFONYL-BENZOATE, SR-01000944898, METHYL 5-(ETHYLSULPHONYL)-2-METHOXYBENZOATE, SR-01000944898-1, 5-(Ethylsulfonyl)-2-methoxybenzoic Acid Methyl Ester, Benzoic acid,5-(ethylsulfonyl)-2-methoxy-, methyl ester, C11H14O5S, METHYL2-METHOXY-5- BENZOATE, C11-H14-O5-S, CID6454351, 4840-63-5,

Complexity	357
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.056g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	258.288g/mol
Monoisotopic Mass	258.056g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	78A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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