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113439-55-7 | Benzene, 1-(diethoxymethoxy)-2-methyl-
CAS No: 113439-55-7 Catalog No: AG0008LJ MDL No:
Product Description
Catalog Number:
AG0008LJ
Chemical Name:
Benzene, 1-(diethoxymethoxy)-2-methyl-
CAS Number:
113439-55-7
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
1-(diethoxymethoxy)-2-methylbenzene
InChI:
InChI=1S/C12H18O3/c1-4-13-12(14-5-2)15-11-9-7-6-8-10(11)3/h6-9,12H,4-5H2,1-3H3
InChI Key:
LXIAWUWOENMZCO-UHFFFAOYSA-N
SMILES:
CCOC(Oc1ccccc1C)OCC
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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