AG002LNJ

2295-58-1 | 1-Propanone, 1-(2,4,6-trihydroxyphenyl)-

AG002LNJ

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CAS Number	2295-58-1
Catalog Number	AG002LNJ(AGN-PC-0JK6IY)
Chemical Name	1-Propanone, 1-(2,4,6-trihydroxyphenyl)-
EC Number	218-942-8
IUPAC Name	1-(2,4,6-trihydroxyphenyl)propan-1-one
InChI	InChI=1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3
InChI Key	PTHLEKANMPKYDB-UHFFFAOYSA-N
MDL Number	MFCD00016456
Molecular Formula	C9H10O4
Molecular Weight	182.1733
SMILES	CCC(C1=C(O)C=C(O)C=C1O)=O
UNII	05V5NVB5Y1
Synonyms	2,4,6-trihydroxypropiophenone, flopropione, THPP, flopropione, 2295-58-1, 2',4',6'-Trihydroxypropiophenone, Phloropropiophenone, Cospanon, Phloropropionone, Propiophloroglucine, Flopropion, Argobyl, Chlonarin, Ecapron, Gasstenon, Labroda, Labrodax, Supanate, Supazlun, Labrodax supanate, 1-(2,4,6-trihydroxyphenyl)propan-1-one, Propionylphloroglucinol, 1-Propanone, 1-(2,4,6-trihydroxyphenyl)-, 1-(2,4,6-Trihydroxyphenyl)-1-propanone, 2,4,6-Trihydroxypropiophenone, RP 13907, Flopropionum [INN-Latin], Flopropiona [INN-Spanish], UNII-05V5NVB5Y1, NSC 97909, Flopropione [INN:DCF:JAN], 13907 R. P., PROPIOPHENONE, 2',4',6'-TRIHYDROXY-, EINECS 218-942-8, BRN 2096799, AI3-36955, 05V5NVB5Y1, PTHLEKANMPKYDB-UHFFFAOYSA-N, NCGC00094817-01, AK161699, DSSTox_CID_25851, DSSTox_RID_81173, DSSTox_GSID_45851, Flopropiona, Flopropionum, Profenon, CAS-2295-58-1, Gallepronin, Flopion, Spamorin, Spasmoril, Pasmus, Phlopropiophenone, Ephtanon (TN), propanoyl-phloroglucinol, Spectrum_000563, ACMC-209fzy, AC1L1FRH, Spectrum2_000954, Spectrum3_000579, Spectrum4_000391, Spectrum5_001471, 13907 R.P., Flopropione (JP17/INN), 2,6-Trihydroxypropiophenone, SCHEMBL26316, BSPBio_001998, KBioGR_000941, KBioSS_001043, 3-08-00-03413 (Beilstein Handbook Reference), DivK1c_000482, SPECTRUM1500629, SPBio_000948, 2',6'-Trihydroxypropiophenone, ZINC1454, CHEMBL1605835, DTXSID3045851, CHEBI:31614, CTK8B1247, HMS501I04, KBio1_000482, KBio2_001043, KBio2_003611, KBio2_006179, KBio3_001498, NINDS_000482, Propiophenone,4',6'-trihydroxy-, HMS1921M05, HMS3652F21, Pharmakon1600-01500629, NSC97909, Tox21_111340, 2413AH, ANW-25004, CCG-40074, MFCD00016456, NSC-97909, NSC757392, s4249, AKOS016357612, Tox21_111340_1, CS-8184, FCH1118903, MCULE-8049309136, NSC-757392, VZ21793, IDI1_000482, NCGC00094817-02, NCGC00094817-03, NCGC00094817-05, AJ-08033, AN-50661, CC-07168, SC-47917, ZB000342, SBI-0051564.P002, 1-Propanone,1-(2,4,6-trihydroxyphenyl)-, 13907 R.P, AX8006713, DB-019834, HY-100562, LS-125515, TC-113749, 13907 R. P, FT-0609878, ST24047208, SW219253-1, 1-[2,4,6-tris(oxidanyl)phenyl]propan-1-one, A16550, D01259, AB00052131_02, A816445, C-06961, SR-01000872776, SR-01000872776-1, BRD-K43383936-001-02-9, I14-93246, Glycine, L-?cysteinyl-?L-?asparaginylglycyl-?L-?arginyl-?L-?cysteinyl-, InChI=1/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H, Ephtanon, NGR peptide, Flopropione [DCF:INN:JAN], C9H10O4, CID3362, 1-Propanone,4,6-trihydroxyphenyl)-, C9-H10-O4, ACN-040602, B1757, T0887, 651328-78-8,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	182.175g/mol
Monoisotopic Mass	182.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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