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74646-37-0 | 1-Tridecyn-4-ol
CAS No: 74646-37-0 Catalog No: AG005J1W MDL No:
Product Description
Catalog Number:
AG005J1W
Chemical Name:
1-Tridecyn-4-ol
CAS Number:
74646-37-0
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
tridec-1-yn-4-ol
InChI:
InChI=1S/C13H24O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h2,13-14H,3,5-12H2,1H3
InChI Key:
WKKSFTVFBMVRFI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(CC#C)O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.183g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.334g/mol
Monoisotopic Mass:
196.183g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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