Home Carboxys 2-phenyl-1,3-dioxane-4-carboxylic acid

2-phenyl-1,3-dioxane-4-carboxylic acid

CAS No.:
178680-96-1
Catalog Number:
AG01BBOK
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
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Product Description
Catalog Number:
AG01BBOK
Chemical Name:
2-phenyl-1,3-dioxane-4-carboxylic acid
CAS Number:
178680-96-1
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD24483616
IUPAC Name:
2-phenyl-1,3-dioxane-4-carboxylic acid
InChI:
InChI=1S/C11H12O4/c12-10(13)9-6-7-14-11(15-9)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)
InChI Key:
AWRXHWTXLRTSEO-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCOC(O1)c1ccccc1
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties