AG003DB3

613-03-6 | Benzene-1,2,4-triyl triacetate

AG003DB3

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CAS Number	613-03-6
Catalog Number	AG003DB3(AGN-PC-0ODCDK)
Chemical Name	Benzene-1,2,4-triyl triacetate
EC Number	210-327-2
IUPAC Name	(3,4-diacetyloxyphenyl) acetate
InChI	InChI=1S/C12H12O6/c1-7(13)16-10-4-5-11(17-8(2)14)12(6-10)18-9(3)15/h4-6H,1-3H3
InChI Key	AESFGSJWSUZRGW-UHFFFAOYSA-N
MDL Number	MFCD00008700
Molecular Formula	C12H12O6
Molecular Weight	252.2201
NSC Number	2149
SMILES	CC(OC1=CC=C(OC(C)=O)C=C1OC(C)=O)=O
UNII	903T7H7CP1
Synonyms	1,2,4-Triacetoxybenzene, 613-03-6, Benzene-1,2,4-triyl triacetate, Hydroxyhydroquinone triacetate, Pyrogallol A, 2-Hydroxyhydroquinone triacetate, 1,2,4-Benzenetriol, triacetate, 2,4-Bis(acetyloxy)phenyl acetate, 1,2,4-Benzenetriacetate, UNII-903T7H7CP1, Triacetate d'hydroxyhydroquinone, NSC 2149, EINECS 210-327-2, 1,2,4-Tri-acetoxybenzene, BRN 2138876, Triacetate d'hydroxyhydroquinone [French], AI3-17879, 1,2,4-Benzenetriol triacetate, AESFGSJWSUZRGW-UHFFFAOYSA-N, 903T7H7CP1, MFCD00008700, 1,2,4-Benzenetriol, 1,2,4-triacetate, 1,4-Triacetoxybenzene, ACMC-1BGRO, AC1L2B9S, AC1Q60WN, 1,2,4-Phenenyl triacetate, 1,2,4-triacetoxy- benzene, 4-06-00-07342 (Beilstein Handbook Reference), 1,4-Benzenetriol, triacetate, 2,4-diacetyloxyphenyl acetate, (3,4-diacetoxyphenyl) acetate, SCHEMBL1866980, (2,5-diacetyloxyphenyl) acetate, (3,4-diacetyloxyphenyl) acetate, CTK5B3017, ZINC56433, NSC2149, 1,2,4-Triacetoxybenzene, 97%, KS-000015YR, NSC-2149, 2,4-Bis(acetyloxy)phenyl acetate #, 9176AB, ANW-33762, BBL002995, STK380185, AKOS000121917, AN-8024, MCULE-3505423595, 1,2,4-Benzenetriol,1,2,4-triacetate, AJ-09256, LS-32273, SY049375, ZB001637, TR-021120, FT-0606244, ST24046008, ST50308513, T8038, MFCD00008700 (97%), S01-0389, Z1250132373, C12H12O6, KST-1B6404, CID69169, AR-1B5375, Benzene- 1, 2, 4- triyl triacetate, C12-H12-O6, T0976, 6273-68-3,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.063g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	252.222g/mol
Monoisotopic Mass	252.063g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	78.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number