Benzenepropanoic acid, 4-hydroxy-b-1-propynyl-, (bS)-


Chemical Name: Benzenepropanoic acid, 4-hydroxy-b-1-propynyl-, (bS)-
CAS Number: 865233-35-8
Product Number: AG00IE3V(AGN-PC-0V694M)
Synonyms:
MDL No:
Molecular Formula: C12H12O3
Molecular Weight: 204.2219

Identification/Properties


Computed Properties
Molecular Weight:
204.225g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
204.079g/mol
Monoisotopic Mass:
204.079g/mol
Topological Polar Surface Area:
57.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
276
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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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