Basic information
- CAS
329329-71-7- Standard SMILES
CN1C[C@@H](O)c2cc(N=NC(N)=O)c(O)cc21- InChIKey
XSXCZNVKFKNLPR-SECBINFHSA-N- Molecular formula
- C10H12N4O3
- Average molar mass
- 236.23 g/mol
- Monoisotopic mass
- 236.09094026
Names & identifiers
- Preferred name
- Carbazochrome, (S)-
- IUPAC
- [(3S)-3,6-dihydroxy-1-methyl-2,3-dihydroindol-5-yl]iminourea
- English name
- carbazochrome
- Molecular formula
- C10H12N4O3
- Molecular weight
- 236.23
Names & synonyms
Carbazochrome, (S)-KYH9Y3317KUNII-KYH9Y3317K329329-71-7Hydrazinecarboxamide, 2-((3S)-1,2,3,6-tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-ylidene)-, (S)-DTXSID108730652-[(3S)-3-Hydroxy-1-methyl-6-oxo-1,2,3,6-tetrahydro-5H-indol-5-ylidene]hydrazine-1-carboxamideHydrazinecarboxamide, 2-[(3S)-1,2,3,6-tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-ylidene]-
Database identifiers
- CAS
329329-71-7- PubChem CID
- 688382
- DTXSID
DTXSID10873065- UNII
- KYH9Y3317K
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Density
- 1.634 · 1.634±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.378 · 12.378±0.40(predicted)
- FDA UNII
- 9 Y3317K · KYH9Y3317K
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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