Home Carboxys 4-benzyloxane-4-carboxylic acid

4-benzyloxane-4-carboxylic acid

CAS No.:
1338494-64-6
Catalog Number:
AG01C15B
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
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Product Description
Catalog Number:
AG01C15B
Chemical Name:
4-benzyloxane-4-carboxylic acid
CAS Number:
1338494-64-6
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD17257048
IUPAC Name:
4-benzyloxane-4-carboxylic acid
InChI:
InChI=1S/C13H16O3/c14-12(15)13(6-8-16-9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,15)
InChI Key:
VCQFYQIKERUPIO-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCOCC1)Cc1ccccc1
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties