Structural formula
| Business number | 03DH |
|---|---|
| Molecular formula | C7H6O4 |
| Molecular weight | 154.12 |
| label |
(-)-Terreic acid, terreic acid, (1R)-3-Hydroxy-4-methyl-7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 2-Hydroxy-3-methyl-1,4-benzoquinone5,6-epoxide, 3-Hydroxy-4-methyl-5-dion(1r)-7-oxabicyclo(4.1.0)hept-3-ene-, 5,6-Epoxy-3-hydroxy-p-toluquinone, 5-Dione,3-hydroxy-4, starter culture |
Numbering system
CAS number:121-40-4
MDL number:None
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
None
Toxicological data
1, acute toxicity: mice through peritoneal cavity LD50: 75mg/kg
2, mutagenicity: mouse intraperitoneal DNA test system: 250mg/kg
Mouse liverDNA compound testing system: 200mg/kg
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 33.48
2. Molar volume（m3/ mol）：95.5
3. isotonic ratio（90.2K）：275.0
4. Surface Tension(dyne/cm)：68.7
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 13.27
Compute chemical data
1. Hydrophobic parameters Calculate reference value (XlogP）：-0.2
2. Hydrogen Bonding Number of donors: 1
3. Hydrogen Bonding Number of receptors: 4
4. Rotatable Number of chemical bonds: 0
5. Interchange Number of isomers: 24
6. Topological molecules Polar surface area (TPSA）：66.9
7. Heavy atoms Quantity: 11
8. Surface charge ：0
9. Complexity ：289
10. Number of isotope atoms:0
11. Determine the number of atomic stereocenters:2
12. Uncertain number of atomic stereocenters:0
13. Determine the number of stereocenters of chemical bonds:0
14. Uncertain number of chemical bond stereocenters:0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
t; TEXT-INDENT: -18pt; TEXT-ALIGN: left; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; mso-list: l0 level1 lfo1; tab-stops: list 18.0pt ; mso-para-margin-left: -.01gd” align=left>10. Number of isotope atoms ：0
11. Determine the number of atomic stereocenters:2
12. Uncertain number of atomic stereocenters:0
13. Determine the number of stereocenters of chemical bonds:0
14. Uncertain number of chemical bond stereocenters:0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
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