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1002-43-3 | Undecane, 3-methyl-
CAS No: 1002-43-3 Catalog No: AG00018E MDL No:
Product Description
Catalog Number:
AG00018E
Chemical Name:
Undecane, 3-methyl-
CAS Number:
1002-43-3
Molecular Formula:
C12H26
Molecular Weight:
170.3348
IUPAC Name:
3-methylundecane
InChI:
InChI=1S/C12H26/c1-4-6-7-8-9-10-11-12(3)5-2/h12H,4-11H2,1-3H3
InChI Key:
HTZWVZNRDDOFEI-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(CC)C
Properties
Complexity:
76.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.203g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.34g/mol
Monoisotopic Mass:
170.203g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
Literature
| Title | Journal |
|---|---|
| Cathepsin B inhibitory activities of three new phthalate derivatives isolated from seahorse, Hippocampus Kuda Bleeler. | Bioorganic & medicinal chemistry letters 20081201 |
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