Monocyclohexyl phthalate

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Catalog Number
ACM7517364-1
Product Name
Monocyclohexyl phthalate
Structure
Structure
CAS
7517-36-4
Category
Heterocyclic Organic Compound
Synonyms
Cyclohexyl hydrogen phthalate
IUPAC Name
2-Cyclohexyloxycarbonylbenzoic acid
Molecular Weight
248.27
Molecular Formula
C14H16O4
Canonical SMILES
C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H16O4/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)
InChI Key
PMDKYLLIOLFQPO-UHFFFAOYSA-N
Boiling Point
89-91 °C
Melting Point
89-91 °C
Flash Point
154.6ºC
Density
1.23g/cm³
Appearance
White Solid
Complexity
307
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
248.10485899
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
1
Heavy Atom Count
18
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Monoisotopic Mass
248.10485899
Physical State
Solid
Rotatable Bond Count
4
Topological Polar Surface Area
63.6 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
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