AG000DHN

117-37-3 | 1H-Indene-1,3(2H)-dione, 2-(4-methoxyphenyl)-

AG000DHN

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CAS Number	117-37-3
Catalog Number	AG000DHN(AGN-PC-0JK65N)
Chemical Name	1H-Indene-1,3(2H)-dione, 2-(4-methoxyphenyl)-
EC Number	204-186-6
IUPAC Name	2-(4-methoxyphenyl)indene-1,3-dione
InChI	InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3
InChI Key	XRCFXMGQEVUZFC-UHFFFAOYSA-N
MDL Number	MFCD00176194
Molecular Formula	C16H12O3
Molecular Weight	252.2647
NSC Number	759629
SMILES	O=C1C(C2=CC=C(OC)C=C2)C(C3=C1C=CC=C3)=O
UNII	S747T1ERAJ
Synonyms	2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione, anisindione, Miradon, anisindione, Miradon, 117-37-3, Anisin indandione, 2-(4-Methoxyphenyl)-1H-indene-1,3(2H)-dione, Unidone, 2-p-Anisyl-1,3-indandione, Anisindionum, Anisindiona, 2-(4-Methoxyphenyl)indan-1,3-dione, 1H-Indene-1,3(2H)-dione, 2-(4-methoxyphenyl)-, 2-(p-Methoxyphenyl)-1,3-indandione, 2-para-Anisyl-1,3-indandione, 2-(p-Methoxyphenyl)indane-1,3-dione, Anisindionum [INN-Latin], Anisindiona [INN-Spanish], SPE 2792, UNII-S747T1ERAJ, HSDB 3205, C16H12O3, EINECS 204-186-6, CHEMBL712, 2-(4-methoxyphenyl)indene-1,3-dione, BRN 1880681, S747T1ERAJ, 1,3-Indandione, 2-(p-methoxyphenyl)-, 2-(4-Methoxy-phenyl)-indan-1,3-dione, 1,3-Indanedione, 2-(4-methoxyphenyl)-, MLS000554135, CHEBI:133809, 2-(4-methoxyphenyl)indane-1,3-dione, NCGC00094969-01, SMR000146452, DSSTox_CID_2611, DSSTox_RID_76658, DSSTox_GSID_22611, Anisindione [INN:BAN], CAS-117-37-3, Miradon (TN), Anisindione (INN), SR-01000642873, Anisindione [INN:BAN:NF], Spectrum_001355, Opera_ID_1613, Spectrum2_000427, Spectrum3_001525, Spectrum4_000723, Spectrum5_000960, Oprea1_729452, SCHEMBL49379, BSPBio_002910, KBioGR_000986, KBioSS_001835, 3-08-00-02931 (Beilstein Handbook Reference), MLS001201835, DivK1c_000336, SPECTRUM1502198, 2-[4-(methyloxy)phenyl]-1H-indene-1,3(2H)-dione, SPBio_000414, AC1L1D53, GTPL6960, DTXSID3022611, CTK7A2798, HMS501A18, KBio1_000336, KBio2_001835, KBio2_004403, KBio2_006971, KBio3_002410, NINDS_000336, XRCFXMGQEVUZFC-UHFFFAOYSA-N, HMS1921L18, HMS2092F04, HMS2231B10, HMS3369M11, Pharmakon1600-01502198, ALBB-013687, HY-B0924, KS-00001F9T, ZX-AN012459, Tox21_111370, 9940AC, BDBM50280155, CCG-40244, MFCD00176194, NSC759629, STK363125, AKOS000987728, Tox21_111370_1, ZINC100015486, API0009036, DB01125, MCULE-6278934749, NSC-759629, IDI1_000336, NCGC00094969-02, NCGC00094969-03, NCGC00094969-05, LS-81215, ST086181, SBI-0051739.P002, AX8077967, FT-0631668, SW220113-1, D07457, AB00052289_10, AB00052289_11, I10-1303, J-003611, SR-01000642873-1, SR-01000642873-3, SR-01000642873-4, 2-(4-methoxyphenyl)-2,3-dihydro-1H-indene-1,3-dione, A2429/0102869, 2-(4-methoxyphenyl)-2-hydrocyclopenta[1,2-a]benzene-1,3-dione, Andion, Anisindione [BAN:INN], D09WKB, CID2197, C16-H12-O3, CS-4393, C010679,

Complexity	344
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.079g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	252.269g/mol
Monoisotopic Mass	252.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H351
Packing Group
Precautionary statements	P264-P270-P308+P313-P301+P312+P330-P501
UN Code

Certificate of Analysis

Lot Number