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1706443-94-8 | 3-(4-Chlorophenyl)-1,4-dioxane-2-carboxylic acid
CAS No: 1706443-94-8 Catalog No: AG01FOVN MDL No:
Product Description
Catalog Number:
AG01FOVN
Chemical Name:
3-(4-Chlorophenyl)-1,4-dioxane-2-carboxylic acid
CAS Number:
1706443-94-8
IUPAC Name:
3-(4-chlorophenyl)-1,4-dioxane-2-carboxylic acid
InChI:
InChI=1S/C11H11ClO4/c12-8-3-1-7(2-4-8)9-10(11(13)14)16-6-5-15-9/h1-4,9-10H,5-6H2,(H,13,14)
InChI Key:
SPHJGKXYYRNZOM-UHFFFAOYSA-N
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.655g/mol
Monoisotopic Mass:
242.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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