AG003DGJ

621-23-8 | 1,3,5-Trimethoxybenzene

AG003DGJ

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CAS Number	621-23-8
Catalog Number	AG003DGJ(AGN-PC-00C4NW)
Chemical Name	1,3,5-Trimethoxybenzene
EC Number	210-673-4
IUPAC Name	1,3,5-trimethoxybenzene
InChI	InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
InChI Key	LKUDPHPHKOZXCD-UHFFFAOYSA-N
MDL Number	MFCD00008385
Molecular Formula	C9H12O3
Molecular Weight	168.1898
NSC Number	90060
SMILES	COC1=CC(OC)=CC(OC)=C1
UNII	00VJI3VG3D
Synonyms	1,3,5-trimethoxybenzene, trimethylphloroglucinol, 1,3,5-Trimethoxybenzene, 621-23-8, Phloroglucinol trimethyl ether, sym-Trimethoxybenzene, Benzene, 1,3,5-trimethoxy-, 1,3,5-Trimethyoxybenzene, UNII-00VJI3VG3D, MFCD00008385, O,O,O-1,3,5-Trimethylresorcinol, EINECS 210-673-4, NSC 90060, 1,3,5-Trimethoxy benzene, BRN 1307993, 00VJI3VG3D, CHEBI:31038, LKUDPHPHKOZXCD-UHFFFAOYSA-N, NCGC00095239-01, DSSTox_CID_25963, DSSTox_RID_81259, DSSTox_GSID_45963, 1,3,5-Trimethoxybenzene, 99%, CAS-621-23-8, 1,5-Trimethoxybenzene, PubChem16522, Spectrum_001404, 1,5-Trimethyoxybenzene, 1,3,5-trimethoxybenzol, Spectrum2_000426, Spectrum3_001030, Spectrum4_001163, Spectrum5_001766, ACMC-1BB8M, 1,3,5 -trimethoxybenzene, 1,3,5-trimethoxy-benzene, 2,4,6-Trimethoxy-benzene, AC1L2BK8, NCIOpen2_001419, SCHEMBL28493, BSPBio_002819, KBioGR_001765, KBioSS_001884, SPECTRUM231043, 4-06-00-07362 (Beilstein Handbook Reference), KSC352Q2R, MLS002207155, SPBio_000412, CHEMBL1605492, DTXSID0045963, CTK2F2828, KBio2_001884, KBio2_004452, KBio2_007020, KBio3_002039, KS-00000EWX, 1,3,5-Trimethoxybenzene (JAN), HMS1763E15, HMS1923E11, ZINC388241, ACT04949, NSC90060, Tox21_111489, ANW-34066, CCG-39953, CT0057, NSC-90060, AKOS000120577, Tox21_111489_1, AS04446, CS-W009141, MCULE-9726275673, MP-2133, RL04359, RP23091, RTR-021353, TRA-0189713, NCGC00095239-02, NCGC00095239-03, NCGC00095239-05, AJ-20506, AK112024, AN-21987, AS-10870, CJ-03164, LS-32251, SC-17623, SMR001306732, SY018307, ZB011378, AB0007050, AB1008241, ST2414784, TL8004038, TR-021353, FT-0606514, P0250, ST50406630, MFCD00008385 (98%), D01792, A833592, 1,3,5-Trimethoxybenzene, ReagentPlus(R), >=99%, I01-2537, Q-200071, BRD-K81884069-001-02-8, BRD-K81884069-001-03-6, 1,3,5-Trimethoxybenzene, Vetec(TM) reagent grade, 98%, UNII-5PPX04J036 component LKUDPHPHKOZXCD-UHFFFAOYSA-N, 1,3,5-Trimethoxybenzene, Standard for quantitative NMR, TraceCERT(R), InChI=1/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H, Trimethylphloroglucinol, 1,2,4-Trimethoxybenzene, Benzene,3,5-trimethoxy-, Trimethoxy-1,3,5-benzene, C9H12O3, CID69301, C9-H12-O3, ZINC00388241, 1,3,5-Trimethoxybenzene, 99% 10g, 1,3,5-Trimethoxybenzene, 99% - 10G 10g, 4463-03-0, TMB,

Complexity	91.2
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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number