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1,3-diethyl 2-(aminomethylidene)propanedioate

1,3-diethyl 2-(aminomethylidene)propanedioate

CAS: 6296-99-7

Formula: C8H13NO4

SMILES: CCOC(=O)C(=CN)C(=O)OCC

IUPAC: 1,3-diethyl 2-(aminomethylidene)propanedioate

InChI: InChI=1S/C8H13NO4/c1-3-12-7(10)6(5-9)8(11)13-4-2/h5H,3-4,9H2,1-2H3

Composition: C (51.33%), H (7.00%), N (7.48%), O (34.19%)

Molar Mass: 187.195

Atom Count: 26

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 187.084457903
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WDTWMEZMHUEZKH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.04
Topological Polar Surface Area 78.62
Polarizability 17.98
Ring Count 0
Rotatable Bond Count 6

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LabNetwork INC
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