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21078-68-2 | 3-Undecanol, 3-methyl-
CAS No: 21078-68-2 Catalog No: AG002KYR MDL No:
Product Description
Catalog Number:
AG002KYR
Chemical Name:
3-Undecanol, 3-methyl-
CAS Number:
21078-68-2
Molecular Formula:
C12H26O
Molecular Weight:
186.3342
IUPAC Name:
3-methylundecan-3-ol
InChI:
InChI=1S/C12H26O/c1-4-6-7-8-9-10-11-12(3,13)5-2/h13H,4-11H2,1-3H3
InChI Key:
AVVIXYGTFQBADW-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(CC)(O)C
NSC Number:
55186
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.198g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.339g/mol
Monoisotopic Mass:
186.198g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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