UCSF

ZINC12405128

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 10 No

Popular Name: cis,cis-Muconic acid cis,cis-Muconic acid

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CAS Numbers: 1119-72-8 , 3588-17-8 , 505-70-4 , [1119-72-8]

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) -0.16 2.31 -98.66 0 4 -2 80 140.094 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 194 - 195 Acros Organics
UniProt Database Links CATA1_ACILW; CATA2_ACILW; CATA_ACIAD; CATA_ACICA; CATA_ACIGI; CATA_ACIRA; CATA_RHOOP; CATB1_ACILW; CATB2_ACILW; CATB_ACIAD; CATB_PSEPU; CATB_RHOOP; CATM_ACIAD; HQD2_CANAL; MLE_TRICU; PHEB_PSEUE ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye 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% )