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128812-13-5 | 1-Undecyn-3-ol, 1-phenyl-, (3R)-
CAS No: 128812-13-5 Catalog No: AG000YE3 MDL No:
Product Description
Catalog Number:
AG000YE3
Chemical Name:
1-Undecyn-3-ol, 1-phenyl-, (3R)-
CAS Number:
128812-13-5
Molecular Formula:
C17H24O
Molecular Weight:
244.3719
IUPAC Name:
(3R)-1-phenylundec-1-yn-3-ol
InChI:
InChI=1S/C17H24O/c1-2-3-4-5-6-10-13-17(18)15-14-16-11-8-7-9-12-16/h7-9,11-12,17-18H,2-6,10,13H2,1H3/t17-/m1/s1
InChI Key:
HJARSBUZMLEJSG-QGZVFWFLSA-N
SMILES:
CCCCCCCC[C@H](C#Cc1ccccc1)O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
244.183g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.378g/mol
Monoisotopic Mass:
244.183g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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