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81603-62-5 | 2-(2,3-dimethoxyphenoxy)tetrahydro-2h-pyran
CAS No: 81603-62-5 Catalog No: AG0058E5 MDL No:
Product Description
Catalog Number:
AG0058E5
Chemical Name:
2-(2,3-dimethoxyphenoxy)tetrahydro-2h-pyran
CAS Number:
81603-62-5
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
IUPAC Name:
2-(2,3-dimethoxyphenoxy)oxane
InChI:
InChI=1S/C13H18O4/c1-14-10-6-5-7-11(13(10)15-2)17-12-8-3-4-9-16-12/h5-7,12H,3-4,8-9H2,1-2H3
InChI Key:
FEKRXXFDIFDAMS-UHFFFAOYSA-N
SMILES:
COc1c(cccc1OC)OC1CCCCO1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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