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113393-36-5 | Ethanone, 1-[3,4-bis(2-hydroxyethoxy)phenyl]-
CAS No: 113393-36-5 Catalog No: AG0008EH MDL No:
Product Description
Catalog Number:
AG0008EH
Chemical Name:
Ethanone, 1-[3,4-bis(2-hydroxyethoxy)phenyl]-
CAS Number:
113393-36-5
Molecular Formula:
C12H16O5
Molecular Weight:
240.2524
IUPAC Name:
1-[3,4-bis(2-hydroxyethoxy)phenyl]ethanone
InChI:
InChI=1S/C12H16O5/c1-9(15)10-2-3-11(16-6-4-13)12(8-10)17-7-5-14/h2-3,8,13-14H,4-7H2,1H3
InChI Key:
ZCGJAKDLYCIJND-UHFFFAOYSA-N
SMILES:
OCCOc1cc(ccc1OCCO)C(=O)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.255g/mol
Monoisotopic Mass:
240.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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