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139623-13-5 | 1,3-Tetradecanediol, (3R)-
CAS No: 139623-13-5 Catalog No: AG001BE6 MDL No:
Product Description
Catalog Number:
AG001BE6
Chemical Name:
1,3-Tetradecanediol, (3R)-
CAS Number:
139623-13-5
Molecular Formula:
C14H30O2
Molecular Weight:
230.3868
IUPAC Name:
(3R)-tetradecane-1,3-diol
InChI:
InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h14-16H,2-13H2,1H3/t14-/m1/s1
InChI Key:
OTJSXUHOVUGHJG-CQSZACIVSA-N
SMILES:
CCCCCCCCCCC[C@H](CCO)O
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
230.225g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.392g/mol
Monoisotopic Mass:
230.225g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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