Diethyl 2-(cyanomethyl)malonate

HCID 272015

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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

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]

Related reactions

5 records

Compound notes

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