Benzaldehyde, 5-ethynyl-2-hydroxy-


Chemical Name: Benzaldehyde, 5-ethynyl-2-hydroxy-
CAS Number: 252771-08-7
Product Number: AG00349I(AGN-PC-07AC4G)
Synonyms:
MDL No:
Molecular Formula: C9H6O2
Molecular Weight: 146.1427

Identification/Properties


Properties
MP:
115-118 °C
BP:
245.6±30.0 °C(Predicted)
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
146.145g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
146.037g/mol
Monoisotopic Mass:
146.037g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
189
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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