Cyclobutanecarboxylic acid, 3-oxo-, phenylmethyl ester


Chemical Name: Cyclobutanecarboxylic acid, 3-oxo-, phenylmethyl ester
CAS Number: 198995-91-4
Product Number: AG002BUG(AGN-PC-0NKZ98)
Synonyms:
MDL No: MFCD11848894
Molecular Formula: C12H12O3
Molecular Weight: 204.2219

Identification/Properties


Properties
BP:
324.9±35.0°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
204.225g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
204.079g/mol
Monoisotopic Mass:
204.079g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
246
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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