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116473-59-7 | Benzene, 1-(dimethoxymethyl)-4-(1-methoxy-1-methylethyl)-
CAS No: 116473-59-7 Catalog No: AG000CKH MDL No:
Product Description
Catalog Number:
AG000CKH
Chemical Name:
Benzene, 1-(dimethoxymethyl)-4-(1-methoxy-1-methylethyl)-
CAS Number:
116473-59-7
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene
InChI:
InChI=1S/C13H20O3/c1-13(2,16-5)11-8-6-10(7-9-11)12(14-3)15-4/h6-9,12H,1-5H3
InChI Key:
VZXZEPUYHYKFJX-UHFFFAOYSA-N
SMILES:
COC(c1ccc(cc1)C(OC)(C)C)OC
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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