Home Carboxys 3-hydroxy-1-phenylcyclobutane-1-carboxylic acid

3-hydroxy-1-phenylcyclobutane-1-carboxylic acid

CAS No.:
1612885-87-6
Catalog Number:
AG01BXGX
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
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Product Description
Catalog Number:
AG01BXGX
Chemical Name:
3-hydroxy-1-phenylcyclobutane-1-carboxylic acid
CAS Number:
1612885-87-6
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
3-hydroxy-1-phenylcyclobutane-1-carboxylic acid
InChI:
InChI=1S/C11H12O3/c12-9-6-11(7-9,10(13)14)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)
InChI Key:
MBOADLJJMFPKKD-UHFFFAOYSA-N
SMILES:
O[C@@H]1C[C@@](C1)(C(=O)O)c1ccccc1
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties