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62443-20-3 | Ethyl 4-(hexadecyloxy)benzoate
CAS No: 62443-20-3 Catalog No: AG01FF3V MDL No:MFCD00956581
Product Description
Catalog Number:
AG01FF3V
Chemical Name:
Ethyl 4-(hexadecyloxy)benzoate
CAS Number:
62443-20-3
Molecular Formula:
C25H42O3
Molecular Weight:
390.5992
MDL Number:
MFCD00956581
IUPAC Name:
ethyl 4-hexadecoxybenzoate
InChI:
InChI=1S/C25H42O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-24-20-18-23(19-21-24)25(26)27-4-2/h18-21H,3-17,22H2,1-2H3
InChI Key:
SBDHLOUYLJFYNQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)OCC
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.313g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.608g/mol
Monoisotopic Mass:
390.313g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10
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