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74646-36-9 | 1-Dodecyn-4-ol
CAS No: 74646-36-9 Catalog No: AG005J1X MDL No:
Product Description
Catalog Number:
AG005J1X
Chemical Name:
1-Dodecyn-4-ol
CAS Number:
74646-36-9
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
IUPAC Name:
dodec-1-yn-4-ol
InChI:
InChI=1S/C12H22O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h2,12-13H,3,5-11H2,1H3
InChI Key:
ABQRRMVVOGPNRA-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(CC#C)O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.307g/mol
Monoisotopic Mass:
182.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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