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190191-53-8 | 1,3-Dioxane-5-carboxylic acid, 2-phenyl-, trans-
CAS No: 190191-53-8 Catalog No: AG002EDY MDL No:
Product Description
Catalog Number:
AG002EDY
Chemical Name:
1,3-Dioxane-5-carboxylic acid, 2-phenyl-, trans-
CAS Number:
190191-53-8
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
2-phenyl-1,3-dioxane-5-carboxylic acid
InChI:
InChI=1S/C11H12O4/c12-10(13)9-6-14-11(15-7-9)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)
InChI Key:
LVEBRRDWGCGKQJ-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CO[C@H](OC1)c1ccccc1
Properties
Complexity:
215
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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