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1002-60-4 | 1,2-Propanediol, 3-(1-dodecen-1-yloxy)-
CAS No: 1002-60-4 Catalog No: AG000189 MDL No:
Product Description
Catalog Number:
AG000189
Chemical Name:
1,2-Propanediol, 3-(1-dodecen-1-yloxy)-
CAS Number:
1002-60-4
Molecular Formula:
C15H30O3
Molecular Weight:
258.3969
IUPAC Name:
3-dodec-1-enoxypropane-1,2-diol
InChI:
InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h11-12,15-17H,2-10,13-14H2,1H3
InChI Key:
JPRVQTYCYJLPLN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC=COCC(CO)O
Properties
Complexity:
181
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:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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