AG002Z2Z

29679-58-1 | Benzeneacetic acid, α-methyl-3-phenoxy-

AG002Z2Z

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CAS Number	29679-58-1
Catalog Number	AG002Z2Z(AGN-PC-0R563A)
Chemical Name	Benzeneacetic acid, α-methyl-3-phenoxy-
IUPAC Name	2-(3-phenoxyphenyl)propanoic acid
InChI	InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
InChI Key	RDJGLLICXDHJDY-UHFFFAOYSA-N
MDL Number	MFCD00072027
Molecular Formula	C15H14O3
Molecular Weight	242.2699
NSC Number	757813
SMILES	O(C1=CC=CC=C1)C=1C=C(C=CC1)C(C(=O)O)C
Synonyms	Fenoprofen, Fenoprofen Calcium, Fenoprofen Dihydrate, Calcium Salt, Fenoprofen, Anhydrous, Calcium Salt, Nalfon, Nalgesic, fenoprofen, 2-(3-Phenoxyphenyl)propanoic acid, 31879-05-7, 29679-58-1, Fenoprofenum, Fenoprofene, Fenoprofeno, Nalfon, Fenoprofen calcium, 2-(3-Phenoxyphenyl)propionic acid, (+-)-m-Phenoxyhydratropic acid, Fenoprofene [INN-French], Fenoprofenum [INN-Latin], alpha-Methyl-3-phenoxybenzeneacetic acid, Fenoprofeno [INN-Spanish], (+-)-2-(3-Phenoxyphenyl)propionic acid, 2-(m-phenoxyphenyl)propionic acid, alpha-(m-phenoxyphenyl)propionic acid, CHEBI:5004, Fenoprofen calcium hydrate, Feneprofen calcium salt dihydrate, HSDB 3328, EINECS 250-850-3, BRN 2118687, CHEMBL1297, Benzeneacetic acid, alpha-methyl-3-phenoxy-, (+-)-, RDJGLLICXDHJDY-UHFFFAOYSA-N, Benzeneacetic acid, .alpha.-methyl-3-phenoxy-, (.+/-.)-, Lilly 53838, Fenoprofen [USAN:BAN:INN], (+/-)-Fenoprofen, Fenoprofen Dihydrate, Calcium Salt, 3-Phenoxyhydratropic acid, Fenoprofen (USAN/INN), Lilly 53858, UNM-0000306101, FenoprofenCa, Fenoprofen [USAN:INN:BAN], EINECS 249-770-1, 2-[3-(phenyloxy)phenyl]propanoic acid, Hydratropic acid, m-phenoxy-, (+-)-, Spectrum_001252, AC1L1FPT, Prestwick0_000754, Prestwick1_000754, Prestwick2_000754, Prestwick3_000754, Spectrum2_001391, Spectrum3_000910, Spectrum4_001009, Spectrum5_001311, Lilly-53858, 3-phenoxy-hydratropic acid, Epitope ID:139975, AC1Q5RW1, SCHEMBL3797, BSPBio_000768, KBioGR_001477, KBioSS_001732, DivK1c_000848, SPECTRUM1501011, SPBio_001402, SPBio_002707, BPBio1_000846, GTPL4820, DTXSID9023045, BDBM54705, CTK4G3649, HMS502K10, KBio1_000848, KBio2_001732, KBio2_004300, KBio2_006868, KBio3_001860, (+/-)-m-phenoxyhydratropic acid, cid_16219353, NINDS_000848, HMS1921B19, HMS2090G18, HMS2092B07, Pharmakon1600-01501011, 2-(3-phenoxyphenyl)-propionic acid, (.+/-.)-m-Phenoxyhydratropic acid, BBL100921, CCG-39009, MFCD00072027, NSC757813, STL554715, 2-(3-Phenoxy-phenyl)-propionic acid, 2-(3-Phenoxyphenyl)propanoic acid #, AKOS005256238, alpha-(m-phenoxyphenyl)-propionic acid, DL-2-(3-phenoxyphenyl)propionic acid, DB00573, MCULE-2686503876, NSC-757813, IDI1_000848, NCGC00094887-01, NCGC00094887-02, NCGC00094887-03, AK116448, AS-30559, LS-76362, Benzeneacetic acid, |A-methyl-3-phenoxy-, SBI-0051632.P002, AB0065019, Hydratropic acid, m-phenoxy-, (.+/-.)-, 4CH-007316, AB00052197, Benzeneacetic acid, alpha-methyl-3-phenoxy-, ST24027516, Z4588, C06997, D02350, M-8808, AB00052197-04, AB00052197_05, AB00052197_06, 879F057, calcium;2-(3-phenoxyphenyl)propanoic acid;hydrate, calcium;2-(3-phenoxyphenyl)propionic acid;hydrate, SR-05000001767, J-018559, SR-05000001767-1, Di-benzeneacetate, .alpha.-methyl-3-phenoxy-, calcium salt, dihydrate, N6-[2-[[4-(Diethylamino)-1-methylbu-tyl]amino]-6-methyl-4-pyrimidinyl]-2-methyl-4,6-qu-inolinediamine trihydrochloride, Nalgesic, Feprona, Fenopron (TN), UNII-RA33EAC7KY, Fenoprofen Calcium Salt, RA33EAC7KY, D03XYW, Fenoprofen calcium salt dihydrate, Nsc 23766, C15H14O3, CID3342, Fenoprofen, Anhydrous, Calcium Salt, AR-1J0752, C15-H14-O3, Benzeneacetic acid, ?-methyl-3-phenoxy-, Hydratropic acid, m-phenoxy-, (.+.)-, alpha-Methyl-3-phenoxybenz-eneacetic acid, D005279, Benzeneacetic acid, .alpha.-methyl-3-phenoxy-, (.+.)-, 34597-40-5, 1177865-17-6, 95907-05-4,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.094g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.274g/mol
Monoisotopic Mass	242.094g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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

Lot Number