Home Halogens methyl 3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylate

methyl 3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylate

CAS No.:
1803610-17-4
Catalog Number:
AG01BHQO
Molecular Formula:
C12H13ClO3
Molecular Weight:
240.6828
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Product Description
Catalog Number:
AG01BHQO
Chemical Name:
methyl 3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylate
CAS Number:
1803610-17-4
Molecular Formula:
C12H13ClO3
Molecular Weight:
240.6828
MDL Number:
MFCD28145371
IUPAC Name:
methyl 3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylate
InChI:
InChI=1S/C12H13ClO3/c1-16-11(14)8-6-12(15,7-8)9-3-2-4-10(13)5-9/h2-5,8,15H,6-7H2,1H3
InChI Key:
YLNSILSMJPPFDY-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(C1)(O)c1cccc(c1)Cl
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.055g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.683g/mol
Monoisotopic Mass:
240.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties