Home Carboxys 4-(benzyloxy)oxane-4-carboxylic acid

4-(benzyloxy)oxane-4-carboxylic acid

CAS No.:
1293265-45-8
Catalog Number:
AG01A1IC
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
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Product Description
Catalog Number:
AG01A1IC
Chemical Name:
4-(benzyloxy)oxane-4-carboxylic acid
CAS Number:
1293265-45-8
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
MDL Number:
MFCD13447182
IUPAC Name:
4-phenylmethoxyoxane-4-carboxylic acid
InChI:
InChI=1S/C13H16O4/c14-12(15)13(6-8-16-9-7-13)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,15)
InChI Key:
OVBNUUMAZBAULI-UHFFFAOYSA-N
SMILES:
OC(=O)C1(OCc2ccccc2)CCOCC1
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties