α-Phenylstyreneic acid

α-Phenylstyrene acid structural formula

Structural formula

Business number 023J
Molecular formula C15H12O2
Molecular weight 224.25
label

α-Phenylcinnamic acid,

ɑ-Phenylcinnamic acid,

C6H5CH=C(C6H5)CO2H

Numbering system

CAS number:91-48-5

MDL number:MFCD00004252

EINECS number:202-069-4

RTECS number:None

BRN number:1911342

PubChem number:24898288

Physical property data

None

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 68.48

2. Molar volume (cm3/mol): 187.1

3. Isotonic specific volume (90.2K ): 503.8

4. Surface tension (dyne/cm): 52.5

5. Polarizability (10-24cm3): 27.15

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 3.5

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 37.3

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 281

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters Number: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/28993

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