Structural formula
Business number | 03N0 |
---|---|
Molecular formula | C15H14O5 |
Molecular weight | 274.27 |
label |
2,2′-dihydroxy-4,4′-dimethoxybenzophenone, [CH3OC6H3(OH)]2CO, aromatic compounds |
Numbering system
CAS number:131-54-4
MDL number:MFCD00009606
EINECS number:205-027-3
RTECS number:DJ0900000
BRN number:None
PubChem number:24893355
Physical property data
Melting point (ºC): 138
Toxicological data
1. Mutagenicity: Salmonella gene mutation: 10ug/plate
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 73.16
2. Molar volume (cm3/mol): 212.4
3. Isotonic specific volume (90.2K): 570.2
4. Surface tension (dyne/cm): 51.9
5. Polarizability (10-24cm3): 29.00
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: 14
6. Topological molecule polar surface area 76
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 302
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: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet