UCSF

ZINC12370865

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 12 Yes

Popular Name: (Z)-8-methylnon-6-enoic acid (Z)-8-methylnon-6-enoic acid

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CAS Numbers: 21382-25-2 , 31467-60-4 , [21382-25-2] , [31467-60-4]

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) 2.51 2.06 -45.03 0 2 -1 40 169.244 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point bp 110 @ 0.1mmHg KeyOrganics

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