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89555-20-4 | 4-Decyn-2-ol, 1-(phenylmethoxy)-
CAS No: 89555-20-4 Catalog No: AG003ZNC MDL No:
Product Description
Catalog Number:
AG003ZNC
Chemical Name:
4-Decyn-2-ol, 1-(phenylmethoxy)-
CAS Number:
89555-20-4
Molecular Formula:
C17H24O2
Molecular Weight:
260.3713
IUPAC Name:
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
InChI Key:
VIVLCTVSSUDTLD-UHFFFAOYSA-N
SMILES:
CCCCCC#CCC(COCc1ccccc1)O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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