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864684-72-0 | Benzene,1-(2,2-dimethoxyethoxy)-3-methyl-
CAS No: 864684-72-0 Catalog No: AG004MZO MDL No:
Product Description
Catalog Number:
AG004MZO
Chemical Name:
Benzene,1-(2,2-dimethoxyethoxy)-3-methyl-
CAS Number:
864684-72-0
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
1-(2,2-dimethoxyethoxy)-3-methylbenzene
InChI:
InChI=1S/C11H16O3/c1-9-5-4-6-10(7-9)14-8-11(12-2)13-3/h4-7,11H,8H2,1-3H3
InChI Key:
MJKJSJSXMMCAOQ-UHFFFAOYSA-N
SMILES:
COC(COc1cccc(c1)C)OC
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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