UCSF

ZINC05858970

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 10 No

Popular Name: Acetic acid, 2-chloro-,2-ethoxyethyl ester Acetic acid, 2-chloro-,2-ethoxye…

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CAS Number: 60682-94-2

Other Names:

MFCD11046426

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) 0.95 1.24 -7.12 0 3 0 35 166.604 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4435588 IBM Patent Data

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