Basic information
- CAS
130506-22-8- Standard SMILES
O=Nc1ccc2oc(=O)ccc2c1- InChIKey
HXTDAUGEZTYMGP-UHFFFAOYSA-N- Molecular formula
- C9H5NO3
- Average molar mass
- 175.14 g/mol
- Monoisotopic mass
- 175.02694302
Names & identifiers
- Preferred name
- 6-Nitroso-1,2-benzopyrone
- IUPAC
- 6-nitrosochromen-2-one
- English name
- 6-Nitroso-1,2-benzopyrone
- Molecular formula
- C9H5NO3
- Molecular weight
- 175.14
Names & synonyms
6-Nitroso-1,2-benzopyrone130506-22-86-NO2BPDTXSID90156580RefChem:1050996-NOBPDTXCID80790716-nitroso-2H-chromen-2-one6-nitrosochromen-2-one6-Nitrosocoumarin2H-1-Benzopyran-2-one, 6-nitroso-NOBP
Show more names
Lopac-N-8403Lopac0_000869SCHEMBL792923CHEMBL1255659SCHEMBL29378755HMS3262N196-Nitroso-2H-1-benzopyran-2-oneTox21_500869
Database identifiers
- CAS
130506-22-8- PubChem CID
- 1871
- DTXSID
DTXSID90156580- ChEMBL
CHEMBL1255659
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 391.5 · 391.5±37.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · 3
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
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationChemicals and drugs that inhibit the action of POLY(ADP-RIBOSE)POLYMERASES.
Suppliers20 total
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
河南氢硅新材料科技有限公司00-18037331-859 18037331859 · [email protected]
江西伯业医药科技有限公司027-18971341812/18971341812 18971341812 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海超岚化工科技中心（原上海巢莱）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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