5-Ethynylbenzene-1,3-diol
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Basic information
- CAS
145078-84-8- Standard SMILES
C#Cc1cc(O)cc(O)c1- InChIKey
IBVOCRDZMOXCHI-UHFFFAOYSA-N- Molecular formula
- C8H6O2
- Average molar mass
- 134.13 g/mol
- Monoisotopic mass
- 134.03677943
Names & identifiers
- Preferred name
- 5-Ethynylbenzene-1,3-diol
- IUPAC
- 5-ethynylbenzene-1,3-diol
- English name
- 1,3-Benzenediol, 5-ethynyl- (9CI)
- Molecular formula
- C8H6O2
- Molecular weight
- 134.13
Names & synonyms
145078-84-85-ETHYNYLBENZENE-1,3-DIOL5-ethynyl-1,3-Benzenediol1,3-Benzenediol, 5-ethynyl- (9CI)MFCD02181104SCHEMBL718437AKOS037645557AS-61465SY299422DB-063580CS-0375718W16293
Show more names
1,3-Benzenediol, 5-ethynyl-5-ETHYNYL-1,3-BENZENEDIOL(WXC09211)
F760433
Database identifiers
- CAS
145078-84-8- PubChem CID
- 45079213
- Nikkaji
- J3.684.774C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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