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20110-36-5 | 2H-Pyran-3-ol, tetrahydro-2-(1E)-1-nonene-3,5,7-triyn-1-yl-, (2R,3S)-rel-
CAS No: 20110-36-5 Catalog No: AG002D6W MDL No:
Product Description
Catalog Number:
AG002D6W
Chemical Name:
2H-Pyran-3-ol, tetrahydro-2-(1E)-1-nonene-3,5,7-triyn-1-yl-, (2R,3S)-rel-
CAS Number:
20110-36-5
Molecular Formula:
C14H14O2
Molecular Weight:
214.2598
IUPAC Name:
(2R,3S)-2-non-1-en-3,5,7-triynyloxan-3-ol
InChI:
InChI=1S/C14H14O2/c1-2-3-4-5-6-7-8-11-14-13(15)10-9-12-16-14/h8,11,13-15H,9-10,12H2,1H3/t13-,14+/m0/s1
InChI Key:
WFJPISZWZQHNLX-UONOGXRCSA-N
SMILES:
CC#CC#CC#C/C=C/[C@H]1OCCC[C@@H]1O
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
214.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.264g/mol
Monoisotopic Mass:
214.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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