AG0035P6

33005-95-7 | 2-[5-(PHENYLCARBONYL)-2-THIENYL]PROPANOIC ACID

AG0035P6

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CAS Number	33005-95-7
Catalog Number	AG0035P6(AGN-PC-0JK798)
Chemical Name	2-[5-(PHENYLCARBONYL)-2-THIENYL]PROPANOIC ACID
EC Number	251-329-3
IUPAC Name	2-(5-benzoylthiophen-2-yl)propanoic acid
InChI	InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
InChI Key	GUHPRPJDBZHYCJ-UHFFFAOYSA-N
MDL Number	MFCD00866089
Molecular Formula	C14H12O3S
Molecular Weight	260.3083
SMILES	C1(=CC=CC=C1)C(=O)C1=CC=C(S1)C(C(=O)O)C
Synonyms	Apo-Tiaprofenic, FC 3001, Flanid, Novo-Tiaprofenic, Nu-Tiaprofenic, PMS-Tiaprofenic, RU 15060, Surgam, Surgam SA, tiaprofenic acid, tiaprofenic acid, calcium salt, tiaprofenic acid, 33005-95-7, Tiaprofensaeure, Surgam, 2-(5-benzoylthiophen-2-yl)propanoic acid, Acido tiaprofenico, Acide tiaprofenique, Acidum tiaprofenicum, 5-Benzoyl-alpha-methyl-2-thiopheneacetic acid, 2-(5-Benzyl-2-thienyl)propionsaeure, Acide tiaprofenique [INN-French], Acido tiaprofenico [INN-Spanish], Acidum tiaprofenicum [INN-Latin], FC 3001, RU 15060, 2-[5-(phenylcarbonyl)-2-thienyl]propanoic acid, Tiaprofenic acid [INN:BAN:DCF:JAN], CHEBI:32221, alpha-methyl-5-benzoyl-2-thienylacetic acid, EINECS 251-329-3, BRN 1380662, 5-benzoyl-alpha-methylthiophene-2-acetic acid, GUHPRPJDBZHYCJ-UHFFFAOYSA-N, 2-(5-Benzoyl-thiophen-2-yl)-propionic acid, DSSTox_CID_3665, 2-Thiopheneacetic acid, 5-benzoyl-alpha-methyl-, DSSTox_RID_77134, DSSTox_GSID_23665, Dom-tiaprofenic, Nu-Tiaprofenic, Novo-Tiaprofenic, PMS-Tiaprofenic, Surgam SA, Surgam SR, Apo-Tiaprofenic Tablets, Tiaprofensaure, Suralgan, tiaprofenic-acid, NCGC00016815-01, 103667-49-8, Prestwick_814, CAS-33005-95-7, ACMC-20dh1z, ACMC-20i3qm, AC1L1KEZ, 2-Thiopheneacetic acid,5-benzoyl-a-methyl-, (aR)-, Prestwick0_000496, Prestwick1_000496, Prestwick2_000496, Prestwick3_000496, Tiaprofenic-200 - Tab, Tiaprofenic-300 - Tab, Epitope ID:131796, SCHEMBL25639, BSPBio_000391, 2-Thiopheneacetic acid, 5-benzoyl-.alpha.-methyl-, 5-18-08-00405 (Beilstein Handbook Reference), MLS002153845, SPBio_002312, BPBio1_000431, CHEMBL365795, DTXSID5023665, CTK4G9712, BDBM223313, HMS1569D13, HMS2096D13, HMS2230E19, HMS3372D06, HMS3713D13, KS-000001NZ, Tox21_110627, GP9951, MFCD00866089, STL454339, (5-benzoyl-2-thienyl)-propionic acid, AKOS015969058, Tox21_110627_1, AC-8970, API0009145, CCG-220496, DB01600, TRA0080822, VZ23228, NCGC00179573-03, AK129846, RU-15060, SMR001233207, 2-(5-Benzoyl-2-thienyl)propanoic acid #, 2-(5-Benzoylthiophen-2-yl)propionic Acid, alpha-(5-benzoyl-2-thienyl)propionic acid, 2-Thiopheneacetic acid,5-benzoyl-a-methyl-, AX8152290, LS-152878, FT-0675220, (RS)-2-(5-benzoyl-2-thienyl)propanoic acid, D01325, 5-Benzoyl-.alpha.-methyl-2-thiopheneacetic acid, 005T957, SR-01000841193, 2-(5-Benzoyl-2-thienyl)propanoic acid, AldrichCPR, 2-[5-(phenylcarbonyl)thiophen-2-yl]propanoic acid, J-018971, SR-01000841193-2, BRD-A72988804-001-03-8, tiaprofen, Tiaprofenicacid, Flanid, Apo-Tiaprofenic, Surgam (TN), Tiaprofen (TN), Surgamyl (TN), (R)-Tiaprofenic acid, Tiaprofenic-200-Tab, Tiaprofenic-300-Tab, ( )-Tiaprofenic acid, (RS)-Tiaprofenic acid, UNII-1LS1T6R34C, (+/-)-Tiaprofenic acid, Tiaprofenic acid (JAN/INN), D0S7VO, tiaprofenic acid, calcium salt, 1LS1T6R34C, C14H12O3S, CID5468, C14-H12-O3-S, Tiaprofenic acid [BAN:DCF:INN:JAN], CS-O-16025, 2-(5-Benzoylthiophen-2-yl)propanoicacid, RU 40518, T3175, 5-Benzoyl-alpha-methyl-2-thiophene Acetic Acid, C021270,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	260.051g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	260.307g/mol
Monoisotopic Mass	260.051g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	82.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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