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114546-81-5 | Benzene, [1,3-dimethoxy-2-(methoxymethyl)propyl]-
CAS No: 114546-81-5 Catalog No: AG000ENC MDL No:
Product Description
Catalog Number:
AG000ENC
Chemical Name:
Benzene, [1,3-dimethoxy-2-(methoxymethyl)propyl]-
CAS Number:
114546-81-5
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
[1,3-dimethoxy-2-(methoxymethyl)propyl]benzene
InChI:
InChI=1S/C13H20O3/c1-14-9-12(10-15-2)13(16-3)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3
InChI Key:
OOUADJJSYPLDFZ-UHFFFAOYSA-N
SMILES:
COC(c1ccccc1)C(COC)COC
Properties
Complexity:
161
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:
7
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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