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85689-41-4 | 1,3-Propanediol, 2-decyl-
CAS No: 85689-41-4 Catalog No: AG004PR2 MDL No:
Product Description
Catalog Number:
AG004PR2
Chemical Name:
1,3-Propanediol, 2-decyl-
CAS Number:
85689-41-4
Molecular Formula:
C13H28O2
Molecular Weight:
216.3602
IUPAC Name:
2-decylpropane-1,3-diol
InChI:
InChI=1S/C13H28O2/c1-2-3-4-5-6-7-8-9-10-13(11-14)12-15/h13-15H,2-12H2,1H3
InChI Key:
RKSVMFNXGWMGOS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(CO)CO
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.209g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.365g/mol
Monoisotopic Mass:
216.209g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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