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1256482-41-3 | Ethyl 3,5-diethylbenzoate
CAS No: 1256482-41-3 Catalog No: AG01FFHX MDL No:MFCD11555003
Product Description
Catalog Number:
AG01FFHX
Chemical Name:
Ethyl 3,5-diethylbenzoate
CAS Number:
1256482-41-3
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD11555003
IUPAC Name:
ethyl 3,5-diethylbenzoate
InChI:
InChI=1S/C13H18O2/c1-4-10-7-11(5-2)9-12(8-10)13(14)15-6-3/h7-9H,4-6H2,1-3H3
InChI Key:
ZMOPFRNZJKUPHU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(CC)cc(c1)CC
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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