AG003QGN

7605-30-3 | Phenylsulfonylacetic acid ethyl ester

AG003QGN

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CAS Number	7605-30-3
Catalog Number	AG003QGN(AGN-PC-00CFDJ)
Chemical Name	Phenylsulfonylacetic acid ethyl ester
EC Number	231-516-6
IUPAC Name	ethyl 2-(benzenesulfonyl)acetate
InChI	InChI=1S/C10H12O4S/c1-2-14-10(11)8-15(12,13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key	NJBWORPRIRNTLH-UHFFFAOYSA-N
MDL Number	MFCD00025041
Molecular Formula	C10H12O4S
Molecular Weight	228.2649
SMILES	CCOC(=O)CS(=O)(=O)C1=CC=CC=C1
Synonyms	ethyl 2-(phenylsulfonyl)acetate, 7605-30-3, Ethyl Phenylsulfonylacetate, ethyl 2-(benzenesulfonyl)acetate, Ethyl (phenylsulphonyl)acetate, Phenylsulfonylacetic Acid Ethyl Ester, ethyl (phenylsulfonyl)acetate, C10H12O4S, ethyl2-(phenylsulphonyl)acetate, ethyl 2-(phenylsulphonyl)acetate, EINECS 231-516-6, EthylPhenylsulfonylacetate, AC1Q6UOJ, ACMC-1BDS4, ethyl benzenesulfonylacetate, AC1L32PC, ethyl 2-phenylsulfonylacetate, MLS000541446, phenyl carbethoxymethyl sulfone, AC1Q353F, SCHEMBL2024141, ethyl alpha-phenylsulfonylacetate, CHEMBL1585295, CTK5E2415, (Phenylsulfonyl)acetic acid ethyl, DTXSID50226950, NJBWORPRIRNTLH-UHFFFAOYSA-N, HMS2338D12, ZINC162455, ACT03921, KS-000013ZU, ANW-36732, MFCD00025041, SBB055180, STL225144, AKOS005076797, MCULE-5787638032, RP05459, [(2-Ethoxy-2-oxoethyl)sulphonyl]benzene, NCGC00246575-01, AJ-15912, SMR000126304, ZB007837, TC-125477, A9652, FT-0636534, P1306, ST24030473, ST45244391, Y4018, Acetic acid,2-(phenylsulfonyl)-, ethyl ester, AF-731/00081030, 10X-0939, I01-7228, J-520651, ethyl(phenylsulfonyl)acetate, Ethyl2-(phenylsulfonyl)acetate, CID82078, AR-1J0394, C10-H12-O4-S, PHENYLSULFONYLACETICACIDETHYLESTER, 80123-68-8,

Complexity	296
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.046g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.262g/mol
Monoisotopic Mass	228.046g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	68.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
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Certificate of Analysis

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