UCSF

ZINC01531550

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 16 Yes

Popular Name: Nerolidol Nerolidol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 142-50-7 , 40716-66-3 , 7212-44-4 , [40716-66-3] , [7212-44-4]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 5.06 7.99 -2.08 1 1 0 20 222.372 7 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 75 Acros Organics
MP 75 °C Indofine
BP [°C] 114 (p=1 torr) Acros Organics
BP 146 / 12 TCI
Boiling_Point 263-266? Alfa-Aesar
Boiling_Point 263-266° Alfa-Aesar
Purity 95% Fluorochem
UniProt Database Links ACSS_MAIZE; GBIS1_ARATH; GBIS2_ARATH; LABER_LAVAN; NES1_FRAAN; NES1_FRAVE; NES2_FRAAN; SELS_OCIBA ChEBI
PUBCHEM_PATENT_ID EP0000719A2; EP0003515A1; EP0010142A1; EP0012246A1; EP0014929A1; EP0022955A1; EP0033604A1; EP0034323A2; EP0049546A1; EP0074694A2; EP0079906A1; EP0104602A2; EP0107857A1; EP0115278A2; EP0116277A2; EP0137419A2; EP0167709A2; EP0174816A2; EP0177807A2; EP019160 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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