AG003V42

700-13-0 | 2,3,5-Trimethylbenzene-1,4-diol

AG003V42

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CAS Number	700-13-0
Catalog Number	AG003V42(AGN-PC-009A1R)
Chemical Name	2,3,5-Trimethylbenzene-1,4-diol
EC Number	211-838-3
IUPAC Name	2,3,5-trimethylbenzene-1,4-diol
InChI	InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3
InChI Key	AUFZRCJENRSRLY-UHFFFAOYSA-N
MDL Number	MFCD00002346
Molecular Formula	C9H12O2
Molecular Weight	152.1904
NSC Number	401617
SMILES	OC1=CC(C)=C(O)C(C)=C1C
UNII	GSY6340N4A
Synonyms	2,3,5-trimethylquinol, trimethylhydroquinone, Trimethylhydroquinone, 700-13-0, 2,3,5-trimethylbenzene-1,4-diol, 2,3,5-Trimethylhydroquinone, 1,4-Benzenediol, 2,3,5-trimethyl-, Pseudocumohydroquinone, psi-Cumohydroquinone, 2,3,6-Trimethylhydroquinone, 2,3,5-Trimethyl-benzene-1,4-diol, HYDROQUINONE, TRIMETHYL-, 2,3,5-Trimethyl-1,4-benzenediol, .psi.-Cumohydroquinone, 2,3,5-Trimethylquinol, UNII-GSY6340N4A, NSC 401617, EINECS 211-838-3, MFCD00002346, Trimethylhydroquinone, 97%, AI3-61040, GSY6340N4A, AUFZRCJENRSRLY-UHFFFAOYSA-N, trimethyihydroquinone, TMHYDROP, trimethyl-hydroquinone, PubChem16765, 2,5-Trimethylhydroquinone, 2,6-Trimethylhydroquinone, 3,6-Dihydroxypseudoquinone, Trimethyhydroquinone polymer, EC 211-838-3, AC1L20CV, 1, 2,3,5-trimethyl-, DSSTox_CID_31018, DSSTox_RID_97275, 2,5,6-trimethylhydroquinone, DSSTox_GSID_52446, SCHEMBL70458, 2,3,5-trimethyl hydroquinone, ARONIS003967, CHEMBL3182864, DTXSID7052446, 2,5-Trimethyl-1,4-benzenediol, CTK7J8402, KS-00000UWQ, KS-00003WUE, ZINC391993, Tox21_113944, NSC401617, SBB056772, STK062643, 2,3,5-TRIMETHYL-HYDROQUINONE, AKOS000493632, MCULE-5906949978, NSC-401617, RL04682, 1,4-Dihydroxy-2,3,5-trimethylbenzene, NCGC00262952-01, NCGC00262952-02, AC-17918, AN-47310, AS-12795, BC212377, CAS-700-13-0, LS-77304, SC-23385, ZB012169, TL8004927, FT-0609459, ST45040759, AB00694314-03, SR-01000944714, I01-6974, SR-01000944714-1, W-104575, F3145-3277, InChI=1/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H, Trimethyl hydroquinone, Cc1c(O)cc(C)c(O)c1C, C9H12O2, Trimethylhydroquinone, 98% 100g, CID12785, C9-H12-O2, Trimethylhydroquinone, 97% - 100G 100g, T0477, TMH,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.084g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	152.193g/mol
Monoisotopic Mass	152.084g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H317-H318-H332-H335-H410
Packing Group	Ⅲ
Precautionary statements	P261-P273-P280-P305+P351+P338-P501
UN Code	UN 3077

Certificate of Analysis

Lot Number