Basic information
- CAS
604799-98-6- Standard SMILES
O=C1NC2(CC2)c2ccccc21- InChIKey
OCWBJZCKQBCSPB-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Names & identifiers
- Preferred name
- Spiro(cyclopropane-1,1'-(1H)isoindol)-3'(2'H)-one
- IUPAC
- spiro[2H-isoindole-3,1'-cyclopropane]-1-one
- English name
- SPIRO[CYCLOPROPANE-1,1'-ISOINDOLIN]-3'-ONE
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
604799-98-6Spiro[cyclopropane-1,1'-[1H]isoindol]-3'(2'H)-oneSpiro(cyclopropane-1,1'-(1H)isoindol)-3'(2'H)-oneRefChem:381058Spiro[cyclopropane-1,1'-isoindolin]-3'-oneSpiro[2H-isoindole-3,1'-cyclopropane]-1-oneMFCD08234398Spiro[cyclopropane-1,1'-isoindol]-3'(2'H)-oneSCHEMBL15914816SCHEMBL15996029SCHEMBL29695445DTXSID20453352
Show more names
AKOS006285494SB66075SY364763CS-0058517spiro[cyclopropane-1,3'-isoindoline]-1'-oneD72995F614367Spiro[cyclopropane-1,1 inverted exclamation mark -isoindolin]-3 inverted exclamation mark -one
Database identifiers
- CAS
604799-98-6- PubChem CID
- 11051938
- DTXSID
DTXSID20453352
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313
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
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers16 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
常州协丰医药研发有限公司519-85601385 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海骁奈医药科技有限公司15800465632 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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