AG003B9I

83-12-5 | 2-Phenyl-1H-indene-1,3(2H)-dione

AG003B9I

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CAS Number	83-12-5
Catalog Number	AG003B9I(AGN-PC-0JK702)
Chemical Name	2-Phenyl-1H-indene-1,3(2H)-dione
EC Number	201-454-4
IUPAC Name	2-phenylindene-1,3-dione
InChI	InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
InChI Key	NFBAXHOPROOJAW-UHFFFAOYSA-N
MDL Number	MFCD00003782
Molecular Formula	C15H10O2
Molecular Weight	222.2387
SMILES	O=C1C(C2=CC=CC=C2)C(C3=C1C=CC=C3)=O
UNII	5M7Y6274ZE
Synonyms	2 Phenyl 1,3 indandione, 2-Phenyl-1,3-indandione, Dindevan, Fenilin, Phenindione, Phenylindanedione, Phenyline, Pindione, phenindione, 83-12-5, 2-Phenyl-1,3-indandione, 2-Phenyl-1H-indene-1,3(2H)-dione, Dindevan, Phenylindanedione, Phenylindione, Rectadione, Athrombon, Diophindane, Emandione, Fenhydren, Phenhydren, Phenillin, Phenyline, Theradione, Danedion, Fenilin, Pindione, Danilone, Diadilan, Emandion, Eridione, Fenindion, Hemolidione, Phenylen, Phenylin, Tromazal, Bindan, Danilon, Dineval, Hedulin, Indema, Trombol, Indon, Cronodione, Thrombasal, Indion, 2-Phenylindandione, Fenindiona, Phenindionum, 2-Phenyl-1,3-diketohydrindene, Phenyllin, 1H-Indene-1,3(2H)-dione, 2-phenyl-, 2-Phenyl-1,3-indanedione, Fenindiona [INN-Spanish], Phenindionum [INN-Latin], 1,3-Indandione, 2-phenyl-, 2-phenyl-2,3-dihydro-1H-indene-1,3-dione, 2-Fenyloindandion-1,3 [Polish], 2-Phenylindan-1,3-dione, 2-phenylindane-1,3-dione, 2-phenylindene-1,3-dione, UNII-5M7Y6274ZE, HSDB 3155, 2-phenyl-1,3(2H)-Indenedione, Phenindione(Rectadione), C15H10O2, EINECS 201-454-4, NSC 41693, CHEMBL711, MLS000069422, CHEBI:8066, NFBAXHOPROOJAW-UHFFFAOYSA-N, 5M7Y6274ZE, CAS-83-12-5, NCGC00016329-01, SMR000059058, DSSTox_CID_3453, DSSTox_RID_77033, DSSTox_GSID_23453, Fenindione, phenylindandione, 2-Fenyloindandion-1,3, Phenindione [INN:BAN], Hedulin (TN), Phenindione (INN), SR-01000721861, Phenindion, Phenindione [USP:INN:BAN], Prestwick_872, Spectrum_000927, Phenindione (Rectadione), AC1Q6DEB, Opera_ID_1966, Prestwick0_000538, Prestwick1_000538, Prestwick2_000538, Prestwick3_000538, Spectrum2_000999, Spectrum3_000710, Spectrum4_000476, Spectrum5_001070, P1029, ACMC-1BM0O, AC1L1IW5, 2-Phenyl-indan-1,3-dione, 1H-Indene-1, 2-phenyl-, Oprea1_684242, SCHEMBL33831, BSPBio_000555, BSPBio_002499, KBioGR_000952, KBioSS_001407, MLS001148439, Dindevan,Rectadione;Rectadione, DivK1c_000307, SPECTRUM1500477, SPBio_001097, SPBio_002476, BPBio1_000611, GTPL6838, DTXSID5023453, CTK5F0412, HMS500P09, KBio1_000307, KBio2_001407, KBio2_003975, KBio2_006543, KBio3_001719, KS-00000YJG, NINDS_000307, WLN: L56 BV DV CHJ CR, HMS1569L17, HMS1920F20, HMS2091N22, HMS2096L17, HMS2234N06, HMS3651M04, HMS3713L17, Pharmakon1600-01500477, 2-Phenyl-1,3-indandione, 97%, HY-B0325, NSC41693, 1,3(2H)-Indenedione, 2-phenyl-, Tox21_110375, ANW-13618, BBL011710, BDBM50280157, CCG-40217, MFCD00003782, NSC-41693, NSC757269, s1921, STK395038, AKOS000445019, Tox21_110375_1, ZINC100004862, CS-2366, DB00498, MCULE-1090571544, NE30721, NSC-757269, 1H-Indene-1,3(2H)-dione,2-phenyl-, IDI1_000307, NCGC00016329-02, NCGC00016329-03, NCGC00016329-04, NCGC00016329-05, NCGC00016329-07, NCGC00094756-01, NCGC00094756-02, NCGC00094756-03, NCGC00094756-04, AK129036, LS-81254, Q565, SBI-0051480.P003, AB2000376, TR-025910, AB00052069, ST45021959, SW196997-3, C07584, D08354, AB00052069_13, AB00052069_14, SR-01000721861-2, SR-01000721861-3, 2-phenyl-2-hydrocyclopenta[1,2-a]benzene-1,3-dione, BRD-K70592963-001-21-7, BRD-K70592963-001-26-6, Phenindione, United States Pharmacopeia (USP) Reference Standard, InChI=1/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13, phenindion-, 1, 2-phenyl-, 2 Phenyl 1,3 indandione, Phenindione [BAN:INN], Boots Brand of Phenindione, D08FTG, P26406_ALDRICH, Goldshield Brand of Phenindione, CID4760, C15-H10-O2, CS-O-30634, Merck Lipha Sante Brand of Phenindione, PID, B1813, D010630,

Complexity	304
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.068g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.243g/mol
Monoisotopic Mass	222.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H317
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number