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1561-07-5 | 1,2-Propanediol, 3-(dodecyloxy)-
CAS No: 1561-07-5 Catalog No: AG001OIQ MDL No:
Product Description
Catalog Number:
AG001OIQ
Chemical Name:
1,2-Propanediol, 3-(dodecyloxy)-
CAS Number:
1561-07-5
Molecular Formula:
C15H32O3
Molecular Weight:
260.4128
IUPAC Name:
3-dodecoxypropane-1,2-diol
InChI:
InChI=1S/C15H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h15-17H,2-14H2,1H3
InChI Key:
GBXRUYNQDDTQQS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOCC(CO)O
EC Number:
216-334-7
NSC Number:
38645
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.235g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.418g/mol
Monoisotopic Mass:
260.235g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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