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16126-10-6 | 5,9-Tetradecadiyne-7,8-diol
CAS No: 16126-10-6 Catalog No: AG001SAO MDL No:
Product Description
Catalog Number:
AG001SAO
Chemical Name:
5,9-Tetradecadiyne-7,8-diol
CAS Number:
16126-10-6
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
tetradeca-5,9-diyne-7,8-diol
InChI:
InChI=1S/C14H22O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h13-16H,3-8H2,1-2H3
InChI Key:
FKTMSCUROCBRIT-UHFFFAOYSA-N
SMILES:
CCCCC#CC(C(C#CCCCC)O)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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