AG007N7I

135-77-3 | 1,2,4-Trimethoxybenzene

AG007N7I

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CAS Number	135-77-3
Catalog Number	AG007N7I(AGN-PC-073UH1)
Chemical Name	1,2,4-Trimethoxybenzene
EC Number	205-219-7
IUPAC Name	1,2,4-trimethoxybenzene
InChI	InChI=1S/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3
InChI Key	AGIQIOSHSMJYJP-UHFFFAOYSA-N
MDL Number	MFCD00008360
Molecular Formula	C9H12O3
Molecular Weight	168.1898
SMILES	C1=C(C(=CC=C1OC)OC)OC
UNII	3KU3WD07SS
Synonyms	1,2,4-trimethoxybenzene, 1,2,4-Trimethoxybenzene, 135-77-3, Benzene, 1,2,4-trimethoxy-, UNII-3KU3WD07SS, Hydroxyhydroquinone trimethyl ether, EINECS 205-219-7, EPA Pesticide Chemical Code 040515, 3KU3WD07SS, AI3-20797, CHEMBL1668605, AGIQIOSHSMJYJP-UHFFFAOYSA-N, MFCD00008360, 2,4,5-trimethoxybenzene, ACMC-1BR3S, 1,3,4-trimethoxy benzene, AC1Q57BQ, DSSTox_CID_15163, DSSTox_RID_79243, DSSTox_GSID_35163, KSC180E4J, SCHEMBL481491, PARAGOS 530455, Jsp002170, DTXSID5035163, AGIQIOSHSMJYJP-UHFFFAOYSA-, CTK0I0244, KS-00000KBP, 1,2,4-Trimethoxybenzene, 97%, ZINC391982, AC1L2782, STR04198, Tox21_300993, ANW-19984, BDBM50336489, AKOS015851701, AS01075, CS-W017803, PS-5199, RP23094, RTR-004813, NCGC00164023-01, NCGC00164023-02, NCGC00254895-01, AC-23662, AJ-21196, AK-47486, AN-23108, BR-47486, CAS-135-77-3, CJ-03561, LS-32250, SC-17480, SY014691, ZB012163, DB-038069, TL8000835, TR-004813, AK00739091, AM20050161, FT-0627148, ST24032127, ST50406125, MFCD00008360 (95%), Q-8227, I01-3126, W-108257, UNII-5PPX04J036 component AGIQIOSHSMJYJP-UHFFFAOYSA-N, InChI=1/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3, Vetrazine, C9H12O3, KST-1B0308, CID67284, AR-1B5423, C9-H12-O3, T1130, 13723-02-9, 621-23-8,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.192g/mol
Monoisotopic Mass	168.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	27.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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