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113447-19-1 | 1,3-Cyclobutanedione, 2,4-didodecyl-
CAS No: 113447-19-1 Catalog No: AG0008MZ MDL No:
Product Description
Catalog Number:
AG0008MZ
Chemical Name:
1,3-Cyclobutanedione, 2,4-didodecyl-
CAS Number:
113447-19-1
Molecular Formula:
C28H52O2
Molecular Weight:
420.7113
IUPAC Name:
2,4-didodecylcyclobutane-1,3-dione
InChI:
InChI=1S/C28H52O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)26(28(25)30)24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChI Key:
DHIHDIGRVGUBRP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC1C(=O)C(C1=O)CCCCCCCCCCCC
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.397g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.722g/mol
Monoisotopic Mass:
420.397g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.6
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