Home Carboxys 4-phenyloxolane-3-carboxylic acid, Mixture of diastereomers

4-phenyloxolane-3-carboxylic acid, Mixture of diastereomers

CAS No.:
1785593-60-3
Catalog Number:
AG01C6LB
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
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Product Description
Catalog Number:
AG01C6LB
Chemical Name:
4-phenyloxolane-3-carboxylic acid, Mixture of diastereomers
CAS Number:
1785593-60-3
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD24492402
IUPAC Name:
4-phenyloxolane-3-carboxylic acid
InChI:
InChI=1S/C11H12O3/c12-11(13)10-7-14-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)
InChI Key:
RUOOGZAGKZOJQK-UHFFFAOYSA-N
SMILES:
OC(=O)C1COCC1c1ccccc1
Properties
Complexity:
209  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties