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114440-22-1 | Dodecanoic acid, methyl-2-(2-hydroxymethylethoxy)ethyl ester (9CI)
CAS No: 114440-22-1 Catalog No: AG000EDS MDL No:
Product Description
Catalog Number:
AG000EDS
Chemical Name:
Dodecanoic acid, methyl-2-(2-hydroxymethylethoxy)ethyl ester (9CI)
CAS Number:
114440-22-1
Molecular Formula:
C18H36O4
Molecular Weight:
316.4760
IUPAC Name:
2-(3-hydroxypropoxy)propyl dodecanoate
InChI:
InChI=1S/C18H36O4/c1-3-4-5-6-7-8-9-10-11-13-18(20)22-16-17(2)21-15-12-14-19/h17,19H,3-16H2,1-2H3
InChI Key:
BOKVQBLXJNEEJX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OCC(OCCCO)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.261g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.482g/mol
Monoisotopic Mass:
316.261g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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