Basic information
- CAS
905307-07-5- Standard SMILES
C=Cn1cc(C(=O)O)cn1- InChIKey
NALOXIKNICPHNW-UHFFFAOYSA-N- Molecular formula
- C6H6N2O2
- Average molar mass
- 138.12 g/mol
- Monoisotopic mass
- 138.04292744
Names & identifiers
- Preferred name
- 1-Ethenyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-ethenylpyrazole-4-carboxylic acid
- English name
- 1-vinyl-1H-pyrazole-4-carboxylic acid(SALTDATA: FREE)
- Molecular formula
- C6H6N2O2
- Molecular weight
- 138.12
Names & synonyms
905307-07-51-ethenyl-1H-pyrazole-4-carboxylic acidDTXSID00653232RefChem:230030DTXCID306039821-VINYL-1H-PYRAZOLE-4-CARBOXYLIC ACID1-ethenylpyrazole-4-carboxylic acidMFCD121984291-vinylpyrazole-4-carboxylic acid1-vinyl-4-pyrazolecarboxylicSCHEMBL4760326NALOXIKNICPHNW-UHFFFAOYSA-N
Show more names
AKOS005662917AT33568VS-110501H-Pyrazole-4-carboxylic acid, 1-ethenyl-1-VINYL-1H-PYRAZOLE-4-CARBOXYLICACIDEN300-1665558F3108431-vinyl-1H-pyrazole-4-carboxylic acid(SALTDATA: FREE)
Database identifiers
- CAS
905307-07-5- PubChem CID
- 37134530
- DTXSID
DTXSID00653232
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2933199090 · 2933199090
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
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
苏州拜傲克生物科技有限公司18626188356 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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