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89670-59-7 | Tetradecanoic acid, 3-hydroxymethyl-
CAS No: 89670-59-7 Catalog No: AG0044K4 MDL No:
Product Description
Catalog Number:
AG0044K4
Chemical Name:
Tetradecanoic acid, 3-hydroxymethyl-
CAS Number:
89670-59-7
Molecular Formula:
C15H30O3
Molecular Weight:
258.3969
IUPAC Name:
3-(hydroxymethyl)tetradecanoic acid
InChI:
InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-14(13-16)12-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
InChI Key:
LCXSMKJMMFMGPG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(CC(=O)O)CO
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.219g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.402g/mol
Monoisotopic Mass:
258.219g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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