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84249-87-6 | Dodecanoic acid, 2-hydroxy-3-[(2-hydroxyethyl)amino]propyl ester
CAS No: 84249-87-6 Catalog No: AG004U70 MDL No:
Product Description
Catalog Number:
AG004U70
Chemical Name:
Dodecanoic acid, 2-hydroxy-3-[(2-hydroxyethyl)amino]propyl ester
CAS Number:
84249-87-6
Molecular Formula:
C17H35NO4
Molecular Weight:
317.4641
IUPAC Name:
[2-hydroxy-3-(2-hydroxyethylamino)propyl] dodecanoate
InChI:
InChI=1S/C17H35NO4/c1-2-3-4-5-6-7-8-9-10-11-17(21)22-15-16(20)14-18-12-13-19/h16,18-20H,2-15H2,1H3
InChI Key:
ABLOIBHXMSFWEK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OCC(CNCCO)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.257g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
317.47g/mol
Monoisotopic Mass:
317.257g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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