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1145681-01-1 | Cyclobutanecarboxylic acid, 1-(4-chlorophenyl)-3-hydroxy-, trans-
CAS No: 1145681-01-1 Catalog No: AG000EPF MDL No:MFCD20524881
Product Description
Catalog Number:
AG000EPF
Chemical Name:
Cyclobutanecarboxylic acid, 1-(4-chlorophenyl)-3-hydroxy-, trans-
CAS Number:
1145681-01-1
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
MDL Number:
MFCD20524881
IUPAC Name:
1-(4-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid
InChI:
InChI=1S/C11H11ClO3/c12-8-3-1-7(2-4-8)11(10(14)15)5-9(13)6-11/h1-4,9,13H,5-6H2,(H,14,15)
InChI Key:
PQVUQOBVSQOFKH-UHFFFAOYSA-N
SMILES:
OC1CC(C1)(C(=O)O)c1ccc(cc1)Cl
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.656g/mol
Monoisotopic Mass:
226.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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