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17312-79-7 | Undecane, 4,5-dimethyl-
CAS No: 17312-79-7 Catalog No: AG001YN4 MDL No:
Product Description
Catalog Number:
AG001YN4
Chemical Name:
Undecane, 4,5-dimethyl-
CAS Number:
17312-79-7
Molecular Formula:
C13H28
Molecular Weight:
184.3614
IUPAC Name:
4,5-dimethylundecane
InChI:
InChI=1S/C13H28/c1-5-7-8-9-11-13(4)12(3)10-6-2/h12-13H,5-11H2,1-4H3
InChI Key:
MYUGNKWRNJTZRU-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(CCC)C)C
Properties
Complexity:
96.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.219g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.367g/mol
Monoisotopic Mass:
184.219g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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