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111-61-5 | Ethyl stearate
CAS No: 111-61-5 Catalog No: AG003QGX MDL No:MFCD00009006
Product Description
Catalog Number:
AG003QGX
Chemical Name:
Ethyl stearate
CAS Number:
111-61-5
Molecular Formula:
C20H40O2
Molecular Weight:
312.5304
MDL Number:
MFCD00009006
IUPAC Name:
ethyl octadecanoate
InChI:
InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3
InChI Key:
MVLVMROFTAUDAG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC
EC Number:
203-887-4
UNII:
C64RTC734W
NSC Number:
8919
FEMA Number:
3490
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.303g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.538g/mol
Monoisotopic Mass:
312.303g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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