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13784-55-9 | 1-Tridecanol, carbonate (2:1)
CAS No: 13784-55-9 Catalog No: AG0013XT MDL No:
Product Description
Catalog Number:
AG0013XT
Chemical Name:
1-Tridecanol, carbonate (2:1)
CAS Number:
13784-55-9
Molecular Formula:
C27H58O5
Molecular Weight:
462.7464
IUPAC Name:
ditridecyl carbonate
InChI:
InChI=1S/C27H54O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-27(28)30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
InChI Key:
GKVQWKKFAVIRMY-UHFFFAOYSA-N
SMILES:
OC(=O)O.CCCCCCCCCCCCCO.CCCCCCCCCCCCCO
EC Number:
237-439-4
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.407g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.726g/mol
Monoisotopic Mass:
426.407g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.8
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