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208828-06-2 | 1,2-Propanediol, 3,3'-[1,12-dodecanediylbis(oxy)]bis- (9CI)
CAS No: 208828-06-2 Catalog No: AG002JWC MDL No:
Product Description
Catalog Number:
AG002JWC
Chemical Name:
1,2-Propanediol, 3,3'-[1,12-dodecanediylbis(oxy)]bis- (9CI)
CAS Number:
208828-06-2
Molecular Formula:
C18H38O6
Molecular Weight:
350.4907
IUPAC Name:
3-[12-(2,3-dihydroxypropoxy)dodecoxy]propane-1,2-diol
InChI:
InChI=1S/C18H38O6/c19-13-17(21)15-23-11-9-7-5-3-1-2-4-6-8-10-12-24-16-18(22)14-20/h17-22H,1-16H2
InChI Key:
JFWVRYGTNZCFAQ-UHFFFAOYSA-N
SMILES:
OCC(COCCCCCCCCCCCCOCC(CO)O)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.267g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
350.496g/mol
Monoisotopic Mass:
350.267g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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