Basic information
- CAS
36428-96-3- Standard SMILES
O=C(O)c1cc2ccc3cccc4ccc(c1)c2c34- InChIKey
JOPBIBGSCKPRBR-UHFFFAOYSA-N- Molecular formula
- C17H10O2
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.06807956
Names & identifiers
- Preferred name
- Pyrene-2-carboxylic acid
- IUPAC
- pyrene-2-carboxylic acid
- English name
- pyrene-2-carboxylic acid
- Molecular formula
- C17H10O2
- Molecular weight
- 246.26
Names & synonyms
Pyrene-2-carboxylic acid36428-96-3DTXSID00319144RefChem:376331DTXCID60270267MFCD004262962-Pyrenecarboxylic acid2-carboxypyreneNSC340266Pyrene-2-carboxylicacidChemDiv3_0002862Pyrene-2-carboxylic acid
Show more names
Pyrene-2-carboxylic acid, HMS2876I14, HMS1473M22
MLS001208047SCHEMBL1901737CHEMBL1608230HMS1473M22HMS2876I14AKOS000592662NSC-340266IDI1_019604
Database identifiers
- CAS
36428-96-3- PubChem CID
- 334608
- DTXSID
DTXSID00319144- ChEMBL
CHEMBL1608230- Nikkaji
- J2.270.127D
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Melting point
- 326 °C · 326 °C
- Boiling point
- 437.2 · 437.2±14.0 °C(Predicted)
- Density
- 1.411 · 1.411±0.06 g/cm3(Predicted)
- pka
- 4.2 · 4.20±0.30(Predicted)
- InChI
- InChI=1S/C17H10O2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H,(H,18,19)
- InChIKey
- JOPBIBGSCKPRBR-UHFFFAOYSA-N
- SMILES
- C1=C2C3=C4C(C=C2)=CC=CC4=CC=C3C=C1C(O)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers23 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
苏州朗行生物科技有限公司0512-62968256 18550502935 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…