Basic information
- CAS
80863-10-1- Standard SMILES
Oc1cccc(C2N=N2)c1- InChIKey
MWZWCPZDSXFZKF-UHFFFAOYSA-N- Molecular formula
- C7H6N2O
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.04801282
Overview
reagent for labeling fatty acids; structure given in first source
Names & identifiers
- Preferred name
- 3-hydroxyphenyl-3H-diazirine
- IUPAC
- 3-(3H-diazirin-3-yl)phenol
- English name
- 3-hydroxyphenyl-3H-diazirine
- Molecular formula
- C7H6N2O
- Molecular weight
- 134.14
Names & synonyms
80863-10-13-Hydroxyphenyl-3H-diazirineMHPDAPhenol, 3-(3H-diazirin-3-yl)-meta-Hydroxyphenyl-3H-diazirineDTXSID90230753RefChem:94375DTXCID201532443-(3H-diazirin-3-yl)phenol3-(3-Diazirinyl)phenylEN300-76658933-(3-Diazirinyl)phenol
Database identifiers
- CAS
80863-10-1- PubChem CID
- 133552
- DTXSID
DTXSID90230753
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 45 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 264.8 · 264.8±50.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3 (20 ºC 760 Torr)
- pka
- 9.68 · 9.68±0.10(Predicted)
Chemistry & industry
Suppliers1 total
上海汉尊生物科技有限公司021-50215258 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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