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7465-91-0 | (4-ethylphenyl) 4-methoxybenzoate
CAS No: 7465-91-0 Catalog No: AG005IHY MDL No:
Product Description
Catalog Number:
AG005IHY
Chemical Name:
(4-ethylphenyl) 4-methoxybenzoate
CAS Number:
7465-91-0
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
(4-ethylphenyl) 4-methoxybenzoate
InChI:
InChI=1S/C16H16O3/c1-3-12-4-8-15(9-5-12)19-16(17)13-6-10-14(18-2)11-7-13/h4-11H,3H2,1-2H3
InChI Key:
NEXDLSSYDDCZQY-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)OC(=O)c1ccc(cc1)OC
NSC Number:
404072
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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