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830318-44-0

830318-44-0 | 2H-Pyran-2-methanol, 6-ethynyl-3,6-dihydro-3-hydroxy-, (2R,3S,6S)-

CAS No: 830318-44-0 Catalog No: AG0053HZ MDL No:

Product Description

Catalog Number:
AG0053HZ
Chemical Name:
2H-Pyran-2-methanol, 6-ethynyl-3,6-dihydro-3-hydroxy-, (2R,3S,6S)-
CAS Number:
830318-44-0
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
IUPAC Name:
(2R,3S,6S)-6-ethynyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
InChI:
InChI=1S/C8H10O3/c1-2-6-3-4-7(10)8(5-9)11-6/h1,3-4,6-10H,5H2/t6-,7+,8-/m1/s1
InChI Key:
PKIYENBTDMDQJK-GJMOJQLCSA-N
SMILES:
OC[C@H]1O[C@H](C#C)C=C[C@@H]1O

Properties

Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

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