Compound C13H18N2O4

3-[3-(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propanenitrile

CAS: 3058-04-6

Molecular Formula	`C13H18N2O4`
Molecular Weight	266.29 g/mol
LogP	-0.3
Topological Polar Surface Area	84.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	266.12665
Heavy Atoms	19
Complexity	336.0

Chemical Identifiers

CAS Number	3058-04-6
SMILES	`C1C2(COC(O1)CCC#N)COC(OC2)CCC#N`
InChIKey	`BNAMIPLIODPZLE-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H18N2O4 (CAS: 3058-04-6) is a chemical compound with molecular formula C13H18N2O4 and molecular weight 266.29 g/mol. Its IUPAC systematic name is 3-[3-(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propanenitrile. LogP -0.3 Topological Polar Surface Area 84.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 266.12665 Heavy Atoms 19 Complexity 336.0 InChI Key: BNAMIPLIODPZLE-UHFFFAOYSA-N. SMILES: C1C2(COC(O1)CCC#N)COC(OC2)CCC#N.

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