AG003EUH

383135-47-5 | 2-(4-(Ethylsulfonyl)phenyl)acetic acid

AG003EUH

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CAS Number	383135-47-5
Catalog Number	AG003EUH(AGN-PC-0L9A6F)
Chemical Name	2-(4-(Ethylsulfonyl)phenyl)acetic acid
IUPAC Name	2-(4-ethylsulfonylphenyl)acetic acid
InChI	InChI=1S/C10H12O4S/c1-2-15(13,14)9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key	FJOLLUNLZJLQMN-UHFFFAOYSA-N
MDL Number	MFCD02664818
Molecular Formula	C10H12O4S
Molecular Weight	228.2649
SMILES	CCS(=O)(=O)c1ccc(cc1)CC(=O)O
Synonyms	2-(4-(Ethylsulfonyl)phenyl)acetic acid, 383135-47-5, 2-[4-(ethanesulfonyl)phenyl]acetic acid, 2-(4-ethylsulfonylphenyl)acetic Acid, Benzeneacetic acid, 4-(ethylsulfonyl)-, AC1N7MC1, SCHEMBL165384, AC1Q38C2, CTK8C4378, DTXSID40402004, FJOLLUNLZJLQMN-UHFFFAOYSA-N, 4-(Ethylsulfonyl)phenylacetic Acid, 4-(ethylsulfonyl)Benzeneacetic acid, ZINC3750856, ANW-71695, MFCD02664818, (4-Ethanesulfonyl-phenyl)-acetic acid, AKOS005144428, ACN-045602, CS-W005727, MCULE-1681526659, MP-1476, KS-0000016F, AJ-45541, AK-76891, BS-14035, DA-06275, SY021215, AB0048727, TX-016234, 4CH-011204, FT-0729459, ST24021741, Z4687, EN300-68573, MFCD02664818 (95%), Z1250080955, C10H12O4S, 2-(4-(ethylsulfonyl)phenyl)aceticacid, CID4329829,

Complexity	307
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	1
Isotope Atom Count	0
Molecular Weight	228.262g/mol
Monoisotopic Mass	228.046g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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