UCSF

ZINC00388681

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 16 Yes

Popular Name: 1-Fluorenecarboxylic acid 1-Fluorenecarboxylic acid

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CAS Numbers: 3/5/6276 12:00:00 AM , 6276-03-5 , 6954-55-8

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 3.36 0.8 -54.4 0 2 -1 40 209.224 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 100 / 12 TCI
Melting_Point 191-192? Alfa-Aesar
Melting_Point 191-192° Alfa-Aesar
MP 246 TCI
Mp [°C] 246 - 250 Acros Organics
Melting_Point 246-248? Alfa-Aesar
Melting_Point 246-248° Alfa-Aesar
PUBCHEM_PATENT_ID EP0372466A2; EP1017683A1; US4797489; US5051428; WO1999015510A1 IBM Patent Data
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.