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998-97-0 | Butanimidic acid, ethyl ester
CAS No: 998-97-0 Catalog No: AG004TPJ MDL No:
Product Description
Catalog Number:
AG004TPJ
Chemical Name:
Butanimidic acid, ethyl ester
CAS Number:
998-97-0
Molecular Formula:
C6H13NO
Molecular Weight:
115.1735
IUPAC Name:
ethyl butanimidate
InChI:
InChI=1S/C6H13NO/c1-3-5-6(7)8-4-2/h7H,3-5H2,1-2H3
InChI Key:
JEZVIUQRUWOXRY-UHFFFAOYSA-N
SMILES:
CCCC(=N)OCC
Properties
Complexity:
70.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.1g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.176g/mol
Monoisotopic Mass:
115.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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