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113702-06-0 | 2-Butanone, 3-[4-(phenylmethoxy)phenoxy]-
CAS No: 113702-06-0 Catalog No: AG0009EQ MDL No:
Product Description
Catalog Number:
AG0009EQ
Chemical Name:
2-Butanone, 3-[4-(phenylmethoxy)phenoxy]-
CAS Number:
113702-06-0
Molecular Formula:
C17H18O3
Molecular Weight:
270.3230
IUPAC Name:
3-(4-phenylmethoxyphenoxy)butan-2-one
InChI:
InChI=1S/C17H18O3/c1-13(18)14(2)20-17-10-8-16(9-11-17)19-12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3
InChI Key:
BPMGNFLSXGRZEM-UHFFFAOYSA-N
SMILES:
CC(C(=O)C)Oc1ccc(cc1)OCc1ccccc1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.328g/mol
Monoisotopic Mass:
270.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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