AG00DDWC

519-34-6 | 2,3',4,4',6-Pentahydroxybenzophenone

AG00DDWC

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CAS Number	519-34-6
Catalog Number	AG00DDWC(AGN-PC-0JL8BU)
Chemical Name	2,3',4,4',6-Pentahydroxybenzophenone
EC Number	208-268-2
IUPAC Name	(3,4-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
InChI	InChI=1S/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H
InChI Key	XNWPXDGRBWJIES-UHFFFAOYSA-N
MDL Number	MFCD03939026
Molecular Formula	C13H10O6
Molecular Weight	262.2149
NSC Number	83240
SMILES	C(C1C=CC(O)=C(O)C=1)(C1C(O)=CC(O)=CC=1O)=O
UNII	27KFF3PMTU
Synonyms	maclura pomifera lectin, maclurin, Maclurin, 519-34-6, Laguncurin, Maklurin, Fustic extract, Moritannic acid, Kino-yellow, Patent Fustin, Morintannic acid, 2,3',4,4',6-Pentahydroxybenzophenone, UNII-27KFF3PMTU, 27KFF3PMTU, (3,4-Dihydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone, CHEBI:6624, Methanone, (3,4-dihydroxyphenyl)(2,4,6-trihydroxyphenyl)-, C.I. 75240, C13H10O6, Benzophenone, 2,3',4,4',6-pentahydroxy- (8CI), (3,4-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone, Macurin, Moringerbic acid, EINECS 208-268-2, NSC 83240, AC1Q5DI4, SCHEMBL758337, AC1L29A1, AC1Q78M3, CHEMBL506731, DTXSID8060163, CTK8I9877, (3,4,6-trihydroxyphenyl)methanone, NSC83240, ZINC3983883, 2,4,4',6-Pentahydroxybenzophenone, MFCD00016438, NSC-83240, AKOS032948339, Benzophenone,3',4,4',6-pentahydroxy-, 2,3',4,4', 6-Pentahydroxybenzophenone, 2,3',4,4',6-Pentahydroxy-Benzophenone, 4CN-1096, AN-45509, CC-30108, FT-0603439, W2027, 2-(3,4-dihydroxybenzoyl)benzene-1,3,5-triol, C09951, 519M346, C-16379, 2-[(3,4-dihydroxyphenyl)carbonyl]benzene-1,3,5-triol, Methanone,4-dihydroxyphenyl)(2,4,6-trihydroxyphenyl)-, (3,4-dihydroxyphenyl)(2,4,6-trihydroxyphenyl)-Methanone, (3,4-Dihydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone, 9CI, C.I. Natural Yellow 11, C.I. Natural Yellow 11 (VAN), CID68213, AR-1J2936, C13-H10-O6, 53137-51-2,

Complexity	321
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.048g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	262.217g/mol
Monoisotopic Mass	262.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	118A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H319-H400
Packing Group	Ⅲ
Precautionary statements	P273-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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