Phthalic acid butyl undecylester

Phthalic acid butyl undecylester
Compound Structure:
Synonyms: Phthalic acid, butyl undecyl ester ;SCHEMBL6406014 ;phthalic acid butyl undecyl ester
Compound ID: NMPC-1401
PubChem ID:

6423450
Molecular Formula: C23H36O4
Canonical SMILES: CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
InChIKey: KBQHBASXOKFXLL-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

376.5 g/mol

XLogP3

8.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

17

Exact Mass

376.26135963 g/mol

Monoisotopic Mass

376.26135963 g/mol

Topological Polar Surface Area

52.6Ų

Heavy Atom Count

27

Formal Charge

0

Complexity

394

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                       

                                                                                             
Source Species: Grewia mollis
Download SDF