Allylhydroquinone
Basic information
- CAS
5721-21-1- Standard SMILES
C=CCc1cc(O)ccc1O- InChIKey
GUAZTQZHLVAYRM-UHFFFAOYSA-N- Molecular formula
- C9H10O2
- Average molar mass
- 150.17 g/mol
- Monoisotopic mass
- 150.06807956
Names & identifiers
- Preferred name
- Allylhydroquinone
- IUPAC
- 2-prop-2-enylbenzene-1,4-diol
- English name
- 2-allylbenzene-1,4-diol
- Molecular formula
- C9H10O2
- Molecular weight
- 150.17
Names & synonyms
2-allylhydroquinoneallylhydroquinone2-Allylbenzene-1,4-diolHydroquinone, allyl-NSC-4079591,4-Benzenediol, 2-(2-propen-1-yl)-1,4-Benzenediol, 2-(2-propenyl)-UNII-488G77O66E488G77O66EDTXSID90324904RefChem:199426DTXCID00276021
Show more names
2-prop-2-enylbenzene-1,4-diol
5721-21-1NSC4079592-(prop-2-en-1-yl)benzene-1,4-diol2-allyl-benzene-1,4-diolNCIOpen2_003617SCHEMBL71514SCHEMBL4576459SCHEMBL11229431
Database identifiers
- CAS
5721-21-1- PubChem CID
- 348577
- DTXSID
DTXSID90324904- UNII
- 488G77O66E
- Nikkaji
- J802.006J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 93 °C · 93 °C
- Boiling point
- 166 · 166-168 °C
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- pka
- 10.71 · 10.71±0.18(Predicted)
- FDA UNII
- 488 G77O66E · 488G77O66E
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Compound notes
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