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101706-25-6 | Acetic acid, 2-imino-, ethyl ester
CAS No: 101706-25-6 Catalog No: AG00059U MDL No:
Product Description
Catalog Number:
AG00059U
Chemical Name:
Acetic acid, 2-imino-, ethyl ester
CAS Number:
101706-25-6
Molecular Formula:
C4H7NO2
Molecular Weight:
101.1039
IUPAC Name:
ethyl 2-iminoacetate
InChI:
InChI=1S/C4H7NO2/c1-2-7-4(6)3-5/h3,5H,2H2,1H3
InChI Key:
FCZFPMKLLXTSNP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=N
Properties
Complexity:
79.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.048g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
101.105g/mol
Monoisotopic Mass:
101.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Allylpalladium umpolung in the three-component coupling synthesis of homoallylic amines. | Organic letters 20061221 |
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