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1000-84-6 | Ethanimidic acid, ethyl ester
CAS No: 1000-84-6 Catalog No: AG00008A MDL No:MFCD00297109
Product Description
Catalog Number:
AG00008A
Chemical Name:
Ethanimidic acid, ethyl ester
CAS Number:
1000-84-6
Molecular Formula:
C4H9NO
Molecular Weight:
87.1204
MDL Number:
MFCD00297109
IUPAC Name:
ethyl ethanimidate
InChI:
InChI=1S/C4H9NO/c1-3-6-4(2)5/h5H,3H2,1-2H3
InChI Key:
JMIAPORGEDIDLT-UHFFFAOYSA-N
SMILES:
CCOC(=N)C
EC Number:
213-676-9
Properties
Complexity:
51.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
87.068g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
87.122g/mol
Monoisotopic Mass:
87.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Disordering of human telomeric G-quadruplex with novel antiproliferative anthrathiophenedione. | PloS one 20110101 |
| Mechanisms of corneal tissue cross-linking in response to treatment with topical riboflavin and long-wavelength ultraviolet radiation (UVA). | Investigative ophthalmology & visual science 20100101 |
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