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155934-76-2

155934-76-2 | Oxiranemethanol, 3-(1,3,5-heptatriynyl)-, trans-(-)- (9CI)

CAS No: 155934-76-2 Catalog No: AG001OCT MDL No:

Product Description

Catalog Number:
AG001OCT
Chemical Name:
Oxiranemethanol, 3-(1,3,5-heptatriynyl)-, trans-(-)- (9CI)
CAS Number:
155934-76-2
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
IUPAC Name:
[(2R,3R)-3-hepta-1,3,5-triynyloxiran-2-yl]methanol
InChI:
InChI=1S/C10H8O2/c1-2-3-4-5-6-7-9-10(8-11)12-9/h9-11H,8H2,1H3/t9-,10-/m1/s1
InChI Key:
DLTRTPLJAAMGPB-NXEZZACHSA-N
SMILES:
OC[C@@H]1O[C@H]1C#CC#CC#CC

Properties

Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.172g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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