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85068-49-1 | Phenol,2-ethoxy-, carbonate (2:1) (9CI)
CAS No: 85068-49-1 Catalog No: AG004S7H MDL No:
Product Description
Catalog Number:
AG004S7H
Chemical Name:
Phenol,2-ethoxy-, carbonate (2:1) (9CI)
CAS Number:
85068-49-1
Molecular Formula:
C17H18O5
Molecular Weight:
302.3218
IUPAC Name:
bis(2-ethoxyphenyl) carbonate
InChI:
InChI=1S/C17H18O5/c1-3-19-13-9-5-7-11-15(13)21-17(18)22-16-12-8-6-10-14(16)20-4-2/h5-12H,3-4H2,1-2H3
InChI Key:
LTAICIIOZBYBTN-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1OC(=O)Oc1ccccc1OCC
EC Number:
285-309-0
UNII:
671ZCC5B5M
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.326g/mol
Monoisotopic Mass:
302.115g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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