Home Carboxys 3-Oxo-1-phenyl-cyclobutanecarboxylic acid methyl ester

3-Oxo-1-phenyl-cyclobutanecarboxylic acid methyl ester

CAS No.:
1035897-59-6
Catalog Number:
AG00HA47
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
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Product Description
Catalog Number:
AG00HA47
Chemical Name:
3-Oxo-1-phenyl-cyclobutanecarboxylic acid methyl ester
CAS Number:
1035897-59-6
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD27974448
IUPAC Name:
methyl 3-oxo-1-phenylcyclobutane-1-carboxylate
InChI:
InChI=1S/C12H12O3/c1-15-11(14)12(7-10(13)8-12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChI Key:
MQDXIAPHJHTTNW-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC(=O)C1)c1ccccc1
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties