In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 6 | No |
Popular Name: 3-Cyclopenten-1-one 3-Cyclopenten-1-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 14320-37-7 , 285-67-6 , 930-30-3 , [930-30-3]
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.40 | 3.23 | -4.15 | 0 | 1 | 0 | 17 | 82.102 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
BP [°C] | 150 | Acros Organics |
Boiling_Point | 150? | Alfa-Aesar |
Boiling_Point | 150° | Alfa-Aesar |
BP | 64-65°/19mm | Oakwood Chemical |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 97% | Fluorochem |
PUBCHEM_PATENT_ID | EP0065638A1; US4360688; US4474979; US4644079; US4983753; US5166369 | IBM Patent Data |
H phrase | H302: Harmful if swallowed | Acros Organics |
H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H226: Flammable liquid and vapor | Acros Organics |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
R phrase | R10: Flammable. | Acros Organics |
R phrase | R10: Flammable.; R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
S phrase | S16: Keep away from sources of ignition - No smoking.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.