AG003IO8

4179-19-5 | 1,3-dimethoxy-5-methylbenzene

AG003IO8

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CAS Number	4179-19-5
Catalog Number	AG003IO8(AGN-PC-0WAFW9)
Chemical Name	1,3-dimethoxy-5-methylbenzene
EC Number	224-048-9
IUPAC Name	1,3-dimethoxy-5-methylbenzene
InChI	InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3
InChI Key	RIZBLVRXRWHLFA-UHFFFAOYSA-N
MDL Number	MFCD00015435
Molecular Formula	C9H12O2
Molecular Weight	152.1904
NSC Number	72352
SMILES	CC1=CC(OC)=CC(OC)=C1
Synonyms	3,5-dimethoxytoluene, 3,5-Dimethoxytoluene, 4179-19-5, 1,3-Dimethoxy-5-methylbenzene, Orcinol dimethyl ether, 5-Methylresorcinol dimethyl ether, Benzene, 1,3-dimethoxy-5-methyl-, Toluene, 3,5-dimethoxy-, 1,3-dimethoxy-5-methyl-benzene, 3,5-dimethoxy toluene, MFCD00015435, RIZBLVRXRWHLFA-UHFFFAOYSA-N, J-640285, W-106295, EINECS 224-048-9, NSC 72352, PubChem17775, AI3-21137, AC1L2TXQ, ACMC-1AK5I, AC1Q56CS, SCHEMBL12501, 3,5-Dimethoxytoluene, 98%, 1,5-dimethoxy-3-methylbenzene, 1-Methyl-3,5-dimethoxybenzene, 2,4-dimethoxy-6-methylbenzene, 5-methyl-1,3-dimethoxybenzene, Benzene,3-dimethoxy-5-methyl-, DTXSID8063339, CTK4I5252, KS-00000WLL, CHEBI:141217, Benzene,1,3-dimethoxy-5-methyl-, NSC72352, ANW-29678, FCH931566, NSC-72352, SBB059392, ZINC12341538, AKOS006222974, FS-1194, LS11630, MCULE-4384993731, TRA0076367, VZ25825, AJ-61170, AN-18857, CC-13608, SC-16635, U465, AX8082768, DB-050807, TC-118423, D2526, FT-0614651, ST24036805, ST50308659, C-03074, J-800284, S01-0464, InChI=1/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H, Toluene,5-dimethoxy-, 3,5 - dimethoxytoluene, N-Propyl-1,3-propanediamine, C9H12O2, KST-1B4322, ACN-S002042, CID77844, AR-1B6950, C9-H12-O2, 4483-62-9, DMT,

Complexity	102
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	0
Isotope Atom Count	0
Molecular Weight	152.193g/mol
Monoisotopic Mass	152.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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