Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester


Chemical Name: Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester
CAS Number: 77-83-8
Product Number: AG00ICSD(AGN-PC-0JK7M2)
Synonyms:
MDL No:
Molecular Formula: C12H14O3
Molecular Weight: 206.2378

Identification/Properties


Computed Properties
Molecular Weight:
206.241g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
206.094g/mol
Monoisotopic Mass:
206.094g/mol
Topological Polar Surface Area:
38.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
245
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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