UCSF

ZINC00897152

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 10 Yes

Popular Name: 1-Indanone 1-Indanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 83-33-0 , [83-33-0]

Download: MOL2 SDF SMILES Flexibase

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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) 1.72 5.48 -7.28 0 1 0 17 132.162 0 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 243 - 245 Acros Organics
Boiling_Point 243-245? Alfa-Aesar
Boiling_Point 243-245° Alfa-Aesar
BP 245 TCI
Mp [°C] 38 - 42 Acros Organics
Melting_Point 38-42? Alfa-Aesar
Melting_Point 38-42° Alfa-Aesar
MP 40 - 42 Enamine Building Blocks
MP 40...42 Enamine Building Blocks
MP 41 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Purity 99% APIChem
UniProt Database Links AK1C1_HUMAN; AK1C1_MACFA; AK1C1_MACFU; AK1C1_PONAB; AK1C3_HUMAN; AK1C3_PONAB ChEBI
Patent Database Links EP0862860; EP0968991; EP0999204; EP1254895; EP1288206; EP1468684; EP1764101; US2003069287; US2004082652; US2004087655; US2004259875; US2005107432; US2005130221; US2006009455; US2006084658; US2007185057; WO2007087488; WO2008126995 ChEBI
PUBCHEM_PATENT_ID EP0916715A1; EP0995184A1; EP0998541A1; WO1999005237A1; WO1999005645A1 IBM Patent Data
H phrase H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P264: Wash face, hands and any exposed skin thoroughly after handling; P270: Do not eat, drink or smoke when using this product Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
Hazard XN: Harmful Acros Organics

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