4-Morpholinepropionic acid, alpha-di-2-thienylmethylene-, ethyl ester, picrate

HCID 24840331

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Basic information

CAS: 102748-61-8
Standard SMILES: CCOC(=O)C(CN1CCOCC1)=C(c1cccs1)c1cccs1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIKey: XIYUVIZPIDDWGQ-UHFFFAOYSA-N
Molecular formula: C24H24N4O10S2
Average molar mass: 592.6 g/mol
Monoisotopic mass: 592.09338532

Names & identifiers

Preferred name: 4-Morpholinepropionic acid, alpha-di-2-thienylmethylene-, ethyl ester, picrate
IUPAC: ethyl 2-(morpholin-4-ylmethyl)-3,3-dithiophen-2-ylprop-2-enoate;2,4,6-trinitrophenol

Names & synonyms

4-Morpholinepropionic acid, alpha-di-2-thienylmethylene-, ethyl ester, picrate102748-61-8alpha-Di-2-thienylmethylene-4-morpholinepropionic acid ethyl ester picrateDTXSID00145485RefChem:294937DTXCID5067976Ethyl 2-[(morpholin-4-yl)methyl]-3,3-di(thiophen-2-yl)prop-2-enoate--2,4,6-trinitrophenol (1/1)

Database identifiers

CAS: 102748-61-8
PubChem CID: 24840331
DTXSID: DTXSID00145485

Properties

Computed structural properties

Topological polar surface area: 253 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 13
Rotatable bonds: 7
Heavy atoms: 40
Formal charge: 0
Complexity: 737

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