Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate

HCID 59702

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Basic information

CAS: 102751-39-3
Standard SMILES: CCOC(=O)C(C[NH+](C)C)=C(c1cccs1)c1cccs1.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1
InChIKey: YLDASBGFJKIZPR-UHFFFAOYSA-N
Molecular formula: C22H22N4O9S2
Average molar mass: 550.6 g/mol
Monoisotopic mass: 550.08282064

Names & identifiers

Preferred name: Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate
IUPAC: (2-ethoxycarbonyl-3,3-dithiophen-2-ylprop-2-enyl)-dimethylazanium;2,4,6-trinitrophenolate

Names & synonyms

102751-39-3ACRYLIC ACID, 2-(DIMETHYLAMINOMETHYL)-3,3-DI-2-THIENYL-, ETHYL ESTER, PICRATE2-(Dimethylaminomethyl)-3,3-di-2-thienylacrylic acid ethyl ester picrateDTXSID40145489RefChem:317184DTXCID90679802-(ethoxycarbonyl)-n,n-dimethyl-3,3-di(thiophen-2-yl)prop-2-en-1-aminium 2,4,6-trinitrophenolate

Database identifiers

CAS: 102751-39-3
PubChem CID: 59702
DTXSID: DTXSID40145489

Properties

Computed structural properties

Topological polar surface area: 248 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 11
Rotatable bonds: 7
Heavy atoms: 37
Formal charge: 0
Complexity: 669

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