1-phenylhex-4-yn-3-ol


Chemical Name: 1-phenylhex-4-yn-3-ol
CAS Number: 184577-40-0
Product Number: AG00753N(AGN-PC-04E8W2)
Synonyms:
MDL No:
Molecular Formula: C12H14O
Molecular Weight: 174.2390

Identification/Properties


Computed Properties
Molecular Weight:
174.243g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
174.104g/mol
Monoisotopic Mass:
174.104g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
190
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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