Home Carboxys 4-[(3-fluorophenyl)methyl]oxane-4-carboxylic acid

4-[(3-fluorophenyl)methyl]oxane-4-carboxylic acid

CAS No.:
1380300-75-3
Catalog Number:
AG01ALLK
Molecular Formula:
C13H15FO3
Molecular Weight:
238.2548
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Product Description
Catalog Number:
AG01ALLK
Chemical Name:
4-[(3-fluorophenyl)methyl]oxane-4-carboxylic acid
CAS Number:
1380300-75-3
Molecular Formula:
C13H15FO3
Molecular Weight:
238.2548
MDL Number:
MFCD18037935
IUPAC Name:
4-[(3-fluorophenyl)methyl]oxane-4-carboxylic acid
InChI:
InChI=1S/C13H15FO3/c14-11-3-1-2-10(8-11)9-13(12(15)16)4-6-17-7-5-13/h1-3,8H,4-7,9H2,(H,15,16)
InChI Key:
RXNSIWMZXKBHEH-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)CC1(CCOCC1)C(=O)O
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.101g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.258g/mol
Monoisotopic Mass:
238.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties