UCSF

ZINC01586297

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 No

Popular Name: Undecanoic acid Undecanoic acid

Find On: PubMed — Wikipedia — Google

CAS Number: 112-37-8

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) 4.53 8.17 -45 0 2 -1 40 185.287 9 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 26-29? Alfa-Aesar
Melting_Point 26-29° Alfa-Aesar
Mp [°C] 28.5 Acros Organics
Boiling_Point 283-285? Alfa-Aesar
Boiling_Point 283-285° Alfa-Aesar
BP [°C] 284 Acros Organics
UniProt Database Links AGI_URTDI; GPR84_BOVIN; GPR84_HUMAN; GPR84_MOUSE; MIG23_CAEEL; NTP1_CAEEL; UDA1_CAEEL ChEBI
Patent Database Links EP1564200; EP1745791; EP1878435; EP1886660; US2004122094; WO2005077968; WO2005092995 ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation Acros Organics
P phrase P302+ P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
P phrase 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 for several minutes. Remove contact lenses, if present Acros Organics
R phrase R36/38: Irritating to eyes 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.