Completing data — usually done within a minute
Basic information
- CAS
17109-93-2- Standard SMILES
CCOC(=O)C(CC#N)C(=O)OCC- InChIKey
FHPUWLWRKKFWPV-UHFFFAOYSA-N- Molecular formula
- C9H13NO4
- Average molar mass
- 199.2 g/mol
- Monoisotopic mass
- 199.0844579
Names & identifiers
- Preferred name
- Diethyl 2-(cyanomethyl)malonate
- IUPAC
- diethyl 2-(cyanomethyl)propanedioate
Names & synonyms
Diethyl 2-(cyanomethyl)malonate17109-93-21,3-diethyl 2-(cyanomethyl)propanedioatediethyl 2-(cyanomethyl)propanedioateNSC116053Propanedioic acid, (cyanomethyl)-, diethyl esterDiethyl2-(cyanomethyl)malonateSCHEMBL9656881diethyl (cyanomethyl)propanedioateDTXSID70297460FHPUWLWRKKFWPV-UHFFFAOYSA-NAKOS023412479
Show more names
NSC-1160532-(Cyanomethyl)malonic acid diethyl esterDB-2023392-(Cyanomethyl)propanedioic acid 1,3-diethyl esterF8880-8708
Database identifiers
- CAS
17109-93-2- PubChem CID
- 272015
- DTXSID
DTXSID70297460- Nikkaji
- J1.158.760G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 235
Chemistry & industry
Suppliers9 total
Junwee Chemical co., Ltd.+86-571-85808636 +86-13958122542 · [email protected]
Shanghai Zhuangming Biopharma Co., Ltd.[email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
上海德凯纳高新材料有限公司13938465051 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
Related reactions
5 records
Compound notes
Loading…