Structure Info
- Chemspace ID
- CSMB00000081131 (Enamine MADE)
- MFCD
- MFCD04039616
- IUPAC Name
- 4-methyl-5-nitrobenzene-1,2-diol
- Mol formula
- C7H7NO4
- Mol weight
- 169 Da
- Catalog Number(s)
- 147825, 262910, 68906-21-8, A737204, AA005N50, AC63168, AG005N7S, AK63168, AR005NWS, BBV-38284995, BD660119, BS-51581, CS-0454948, CSC000081131, E78283, F775493, FCH848711, FM25737, HY-W343923, LN01301397, M267452, M323730, Y1235414, ZXC172698
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.82
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.142
- Polar surface area (Å)
- 84
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB00000081131
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