Basic information
- CAS
879514-21-3- Standard SMILES
O=[N+]([O-])CC1(O)CCC2(CC1)OCCO2- InChIKey
HUDVAVREBBQAOY-UHFFFAOYSA-N- Molecular formula
- C9H15NO5
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.09502258
Names & identifiers
- Preferred name
- 8-(Nitromethyl)-1,4-dioxaspiro[4.5]decan-8-ol
- IUPAC
- 8-(nitromethyl)-1,4-dioxaspiro[4.5]decan-8-ol
- English name
- 8-(nitromethyl)-1,4-dioxaspiro[4.5]decan-8-ol
- Molecular formula
- C9H15NO5
- Molecular weight
- 217.22
Names & synonyms
8-(nitromethyl)-1,4-dioxaspiro[4.5]decan-8-ol879514-21-3MFCD12828250SCHEMBL1140797DTXSID00676522HUDVAVREBBQAOY-UHFFFAOYSA-NAKOS015856172AS-67416SY491463DB-077150CS-00799208-(Nitromethyl)-14-dioxaspiro[4.5]decan-8-ol
Show more names
1,4-Dioxaspiro[4.5]decan-8-ol, 8-(nitromethyl)-
8-Nitromethyl-1,4-dioxa-spiro[4.5]decan-8-ol8-(nitromethyl)-1,4-dioxaspiro[4,5]decan-8-olF043907
Database identifiers
- CAS
879514-21-3- PubChem CID
- 46835693
- DTXSID
DTXSID00676522
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers10 total
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
江苏弘和药物研发有限公司5108538618 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
上海平果医药科技有限公司021-20432229 · [email protected]
上海相辉医药科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
8 records
Compound notes
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