UCSF

ZINC12954600

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 33 Yes

Popular Name: dimethyl 5,5-dicyano-2-hydroxy-4,6-bis(4-methylphenyl)-1-cyclohexene-1,3-dicarboxylate dimethyl 5,5-dicyano-2-hydroxy-4…

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CAS Number: 547769-61-9

Other Names:

MFCD04124986

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Annotations

None

Vendors

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) 4.48 11.99 -12 0 7 0 117 444.487 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 211 - 213 KeyOrganics

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