UCSF

ZINC36449401

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 17 Yes

Popular Name: TERT-BUTYL 3-METHYL-1H-INDOLE-1-CARBOXYLATE TERT-BUTYL 3-METHYL-1H-INDOLE-1-…

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CAS Number: 89378-43-8

Other Names:

MFCD13563142

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) 3.64 8.59 -7.55 0 3 0 31 231.295 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0460679A3; EP0460679B1; EP0555537A3; US5444152; US5459142; US5470833; US5496928; US5614498; US5801248; US6121489; US6143932; WO1997033174A1 IBM Patent Data

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