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85013-48-5 | Benzene, 1-(ethoxyphenylmethoxy)-4-methoxy-
CAS No: 85013-48-5 Catalog No: AG004TEB MDL No:
Product Description
Catalog Number:
AG004TEB
Chemical Name:
Benzene, 1-(ethoxyphenylmethoxy)-4-methoxy-
CAS Number:
85013-48-5
Molecular Formula:
C16H18O3
Molecular Weight:
258.3123
IUPAC Name:
1-[ethoxy(phenyl)methoxy]-4-methoxybenzene
InChI:
InChI=1S/C16H18O3/c1-3-18-16(13-7-5-4-6-8-13)19-15-11-9-14(17-2)10-12-15/h4-12,16H,3H2,1-2H3
InChI Key:
WQCLGCCJWXMTPJ-UHFFFAOYSA-N
SMILES:
CCOC(c1ccccc1)Oc1ccc(cc1)OC
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.317g/mol
Monoisotopic Mass:
258.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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