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126522-33-6 | 4-Hexyn-2-ol, 1-(phenylmethoxy)-, (S)- (9CI)
CAS No: 126522-33-6 Catalog No: AG000SVA MDL No:
Product Description
Catalog Number:
AG000SVA
Chemical Name:
4-Hexyn-2-ol, 1-(phenylmethoxy)-, (S)- (9CI)
CAS Number:
126522-33-6
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
1-phenylmethoxyhex-4-yn-2-ol
InChI:
InChI=1S/C13H16O2/c1-2-3-9-13(14)11-15-10-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1H3
InChI Key:
DODVWWZXOVXIBK-UHFFFAOYSA-N
SMILES:
O[C@@H](CC#CC)COCc1ccccc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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