UCSF

ZINC03848664

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 13 Yes

Popular Name: 4-(butan-2-yl)benzoic acid 4-(butan-2-yl)benzoic acid

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CAS Number: 40912-38-7

Other Names:

MFCD01846460

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) 3.70 1.74 -50.51 0 2 -1 40 177.223 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 88 - 90 Enamine Building Blocks
MP 88...90 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US4686234 IBM Patent Data

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