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21112-68-5 | Methanone, [2-hydroxy-4-(2-phenoxyethoxy)phenyl]phenyl-
CAS No: 21112-68-5 Catalog No: AG002L7A MDL No:
Product Description
Catalog Number:
AG002L7A
Chemical Name:
Methanone, [2-hydroxy-4-(2-phenoxyethoxy)phenyl]phenyl-
CAS Number:
21112-68-5
Molecular Formula:
C21H18O4
Molecular Weight:
334.3652
IUPAC Name:
[2-hydroxy-4-(2-phenoxyethoxy)phenyl]-phenylmethanone
InChI:
InChI=1S/C21H18O4/c22-20-15-18(25-14-13-24-17-9-5-2-6-10-17)11-12-19(20)21(23)16-7-3-1-4-8-16/h1-12,15,22H,13-14H2
InChI Key:
KRAXDLMUOHFJBZ-UHFFFAOYSA-N
SMILES:
Oc1cc(OCCOc2ccccc2)ccc1C(=O)c1ccccc1
EC Number:
244-217-0
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.371g/mol
Monoisotopic Mass:
334.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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