UCSF

ZINC06037316

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2006 13 Yes

Popular Name: 3-Methylcyclohex-4-ene-1,2-dicarboxylic acid 3-Methylcyclohex-4-ene-1,2-dicar…

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CAS Number: 40469-16-7

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) 0.46 4.72 -127.15 0 4 -2 80 182.175 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 152-154° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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