UCSF

ZINC02597293

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 12 No

Popular Name: 2-(2-Propynyloxy)benzenecarbaldehyde 2-(2-Propynyloxy)benzenecarbalde…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 29978-83-4 , [29978-83-4]

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) 1.90 6.27 -11.45 0 2 0 26 160.172 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 6.600000000000000e+001 - 6.800000000000000e+001 KeyOrganics
melting_point 66 - 68 KeyOrganics
MP 69-72° Matrix Scientific
MP 70 - 72 Enamine Building Blocks
MP 70...72 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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