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1457-85-8 | Acetic acid, 2-oxo-2-(phenylamino)-, ethyl ester
CAS No: 1457-85-8 Catalog No: AG001DBU MDL No:MFCD00009118
Product Description
Catalog Number:
AG001DBU
Chemical Name:
Acetic acid, 2-oxo-2-(phenylamino)-, ethyl ester
CAS Number:
1457-85-8
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD00009118
IUPAC Name:
ethyl 2-anilino-2-oxoacetate
InChI:
InChI=1S/C10H11NO3/c1-2-14-10(13)9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12)
InChI Key:
YDGAUBHNAKCSKF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Nc1ccccc1
EC Number:
215-945-6
NSC Number:
5606
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Ethyl N-phenyloxamate. | Acta crystallographica. Section C, Crystal structure communications 20031001 |
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