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137819-95-5

137819-95-5 | 4-Decyn-2-ol, 1-(phenylmethoxy)-, (R)- (9CI)

CAS No: 137819-95-5 Catalog No: AG0013VX MDL No:

Product Description

Catalog Number:
AG0013VX
Chemical Name:
4-Decyn-2-ol, 1-(phenylmethoxy)-, (R)- (9CI)
CAS Number:
137819-95-5
Molecular Formula:
C17H24O2
Molecular Weight:
260.3713
IUPAC Name:
(2R)-1-phenylmethoxydec-4-yn-2-ol
InChI:
InChI=1S/C17H24O2/c1-2-3-4-5-6-10-13-17(18)15-19-14-16-11-8-7-9-12-16/h7-9,11-12,17-18H,2-5,13-15H2,1H3/t17-/m1/s1
InChI Key:
VIVLCTVSSUDTLD-QGZVFWFLSA-N
SMILES:
CCCCCC#CC[C@H](COCc1ccccc1)O

Properties

Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
260.178g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.377g/mol
Monoisotopic Mass:
260.178g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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