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
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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