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13064-31-8 | 1,3-Propanediol, 2-dodecyl-2-methyl-
CAS No: 13064-31-8 Catalog No: AG000UQZ MDL No:
Product Description
Catalog Number:
AG000UQZ
Chemical Name:
1,3-Propanediol, 2-dodecyl-2-methyl-
CAS Number:
13064-31-8
Molecular Formula:
C16H34O2
Molecular Weight:
258.4400
IUPAC Name:
2-dodecyl-2-methylpropane-1,3-diol
InChI:
InChI=1S/C16H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-16(2,14-17)15-18/h17-18H,3-15H2,1-2H3
InChI Key:
FFNGVBGKKHTWMS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(CO)(CO)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.256g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.446g/mol
Monoisotopic Mass:
258.256g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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