3-Oxetanecarboxylic acid, 3-phenyl-


Chemical Name: 3-Oxetanecarboxylic acid, 3-phenyl-
CAS Number: 114012-42-9
Product Number: AG000AAB(AGN-PC-02KXDH)
Synonyms:
MDL No:
Molecular Formula: C10H10O3
Molecular Weight: 178.1846

Identification/Properties


Computed Properties
Molecular Weight:
178.187g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
178.063g/mol
Monoisotopic Mass:
178.063g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
202
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

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NMR Spectrum


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