Catalog Number
ACM7517364-1
Product Name
Monocyclohexyl phthalate
Category
Heterocyclic Organic Compound
Synonyms
Cyclohexyl hydrogen phthalate
IUPAC Name
2-Cyclohexyloxycarbonylbenzoic acid
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
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
1
Monoisotopic Mass
248.10485899
Topological Polar Surface Area
63.6 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0