UCSF

ZINC01126564

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 16 Yes

Popular Name: 2-(2-ethoxy-2-oxoethoxy)benzoic acid 2-(2-ethoxy-2-oxoethoxy)benzoic …

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CAS Number: 108807-15-4

Other Names:

MFCD05996019

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) 2.18 2.28 -67.37 0 5 -1 75 223.204 6 ↓

Vendor Notes

Note Type Comments Provided By
MP 100 - 102 Enamine Building Blocks
MP 100...102 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0218728A1; US4994479; US5116853; US5140046 IBM Patent Data

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