Acetic acid, phenyl ester


Chemical Name: Acetic acid, phenyl ester
CAS Number: 122-79-2
Product Number: AG0016JX(AGN-PC-0IKXGP)
Synonyms:
MDL No:
Molecular Formula: C8H8O2
Molecular Weight: 136.1479

Identification/Properties


Computed Properties
Molecular Weight:
136.15g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
136.052g/mol
Monoisotopic Mass:
136.052g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
114
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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