4-Nitrophenyl laurate

4-Nitrophenyl laurate
Compound Structure:
Synonyms: 4-Nitrophenyl laurate;1956-11-2;4-Nitrophenyl dodecanoate;p-Nitrophenyl laurate;(4-nitrophenyl) dodecanoate;Lauric Acid 4-Nitrophenyl Ester;4-Nitrophenyllaurate;para-nitrophenyl laurate
Compound ID: NMPC-427
PubChem ID:

74778
Molecular Formula: C18H27NO4
Canonical SMILES: CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChIKey: YNGNVZFHHJEZKD-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

321.4 g/mol

XLogP3-AA

6.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

12

Exact Mass

321.19400834 g/mol

Monoisotopic Mass

321.19400834 g/mol

Topological Polar Surface Area

72.1Ų

Heavy Atom Count

23

Formal Charge

0

Complexity

332

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: Tetrapleura tetraptera
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