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1558-82-3 | Ethanimidic acid, N-cyano-, ethyl ester
CAS No: 1558-82-3 Catalog No: AG001O8H MDL No:MFCD03411888
Product Description
Catalog Number:
AG001O8H
Chemical Name:
Ethanimidic acid, N-cyano-, ethyl ester
CAS Number:
1558-82-3
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD03411888
IUPAC Name:
ethyl N-cyanoethanimidate
InChI:
InChI=1S/C5H8N2O/c1-3-8-5(2)7-4-6/h3H2,1-2H3
InChI Key:
PLVWUINOWYHRAA-UHFFFAOYSA-N
SMILES:
CC(=NC#N)OCC
NSC Number:
88115
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.064g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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