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14400-73-8 | 3,5-Octadiyne-2,7-diol
CAS No: 14400-73-8 Catalog No: AG001IRX MDL No:MFCD18431538
Product Description
Catalog Number:
AG001IRX
Chemical Name:
3,5-Octadiyne-2,7-diol
CAS Number:
14400-73-8
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
MDL Number:
MFCD18431538
IUPAC Name:
octa-3,5-diyne-2,7-diol
InChI:
InChI=1S/C8H10O2/c1-7(9)5-3-4-6-8(2)10/h7-10H,1-2H3
InChI Key:
SGGKZYNWSYKYTM-UHFFFAOYSA-N
SMILES:
CC(C#CC#CC(O)C)O
NSC Number:
172807
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.166g/mol
Monoisotopic Mass:
138.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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