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16900-60-0 | 11-Dodecynoic acid
CAS No: 16900-60-0 Catalog No: AG001YFL MDL No:
Product Description
Catalog Number:
AG001YFL
Chemical Name:
11-Dodecynoic acid
CAS Number:
16900-60-0
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
dodec-11-ynoic acid
InChI:
InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h1H,3-11H2,(H,13,14)
InChI Key:
VEWMMYQRMAYPIE-UHFFFAOYSA-N
SMILES:
C#CCCCCCCCCCC(=O)O
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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