AG00326F

31127-54-5 | Methanone, (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)-

AG00326F

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CAS Number	31127-54-5
Catalog Number	AG00326F(AGN-PC-0D6W7V)
Chemical Name	Methanone, (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)-
IUPAC Name	(4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone
InChI	InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)11(16)9-5-6-10(15)13(18)12(9)17/h1-6,14-15,17-18H
InChI Key	ZRDYULMDEGRWRC-UHFFFAOYSA-N
MDL Number	MFCD00083097
Molecular Formula	C13H10O5
Molecular Weight	246.2155
SMILES	O=C(C1=CC=C(O)C=C1)C2=CC=C(O)C(O)=C2O
Synonyms	2,3,4,4'-Tetrahydroxybenzophenone, 31127-54-5, (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone, 2,3,4,4'-Tetrahydroxy benzophenone, Methanone, (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)-, AK-94171, PubChem3404, AC1LJAAF, ACMC-1AJ2Q, DSSTox_CID_27932, DSSTox_RID_82685, DSSTox_GSID_47956, Oprea1_408626, SCHEMBL93340, hsp90_136, KSC566I1H, Jsp005828, CHEMBL3182152, DTXSID5047956, CTK4G6413, BDBM225845, GenBank AZ674294 (9CI), ZINC507420, ACT07575, ZX-AT015603, Tox21_200892, ANW-27036, MFCD00083097, STK530756, 2,3,4,4\'-Tetrahydroxybenzophenone, AKOS005463647, MCULE-3179785678, OR41023, ACM31127545, KS-00000G26, NCGC00248868-01, NCGC00258446-01, AC-11519, ACM311127545, AJ-23244, AS-12572, BP-10041, CC-06583, CJ-04307, SY037123, ZB014240, 4-(4-hydroxybenzoyl)benzene-1,2,3-triol, AB0012152, AX8001253, CAS-31127-54-5, DB-047969, TC-115781, TL8002380, FT-0609322, ST24026281, MFCD00083097 (97%), 127T545, C-14993, I01-3598, (4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone, 2,3,4,4 inverted exclamation mark -Tetrahydroxybenzophenone, 311127-54-5, Not Available, 2,3,4,4'-tetrahydroxybenzophenon, C13H10O5, CID919792, ZINC00507420, ACN-040246, T1594, 4-(4-Hydroxybenzoyl)-1,2,3-trihydroxybenzene,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.053g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	246.218g/mol
Monoisotopic Mass	246.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	98A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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