AG003DK2

79128-08-8 | 1,3-Diisopropoxybenzene

AG003DK2

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CAS Number	79128-08-8
Catalog Number	AG003DK2(AGN-PC-0NDYPE)
Chemical Name	1,3-Diisopropoxybenzene
IUPAC Name	1,3-di(propan-2-yloxy)benzene
InChI	InChI=1S/C12H18O2/c1-9(2)13-11-6-5-7-12(8-11)14-10(3)4/h5-10H,1-4H3
InChI Key	REKFSOLBSHAFDG-UHFFFAOYSA-N
MDL Number	MFCD07784412
Molecular Formula	C12H18O2
Molecular Weight	194.2701
SMILES	O(C(C)C)c1cc(OC(C)C)ccc1
Synonyms	1,3-Diisopropoxybenzene, 79128-08-8, 1,3-di(propan-2-yloxy)benzene, Benzene,1,3-bis(1-methylethoxy)-, 1,3-DIISOPROPOXYBENZENE, 97%, 1,3 diisopropoxybenzene, ACMC-20ap46, SCHEMBL2968363, 1,3-bis(1-methylethoxy)benzene, CTK5E6469, 1,3-bis(propan-2-yloxy)benzene, DTXSID50450697, KS-00000LG6, MFCD07784412, ZINC39946813, AKOS025295764, AK342632, DS-12368, TC-172221, 1,3-dipropan-2-yloxybenzene, CID10985468,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.131g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.274g/mol
Monoisotopic Mass	194.131g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H319
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 3082

Certificate of Analysis

Lot Number