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163732-99-8 | 1-Buten-1-one, 3-imino-
CAS No: 163732-99-8 Catalog No: AG001UCM MDL No:
Product Description
Catalog Number:
AG001UCM
Chemical Name:
1-Buten-1-one, 3-imino-
CAS Number:
163732-99-8
Molecular Formula:
C4H5NO
Molecular Weight:
83.0886
IUPAC Name:
3-iminobut-1-en-1-one
InChI:
InChI=1S/C4H5NO/c1-4(5)2-3-6/h2,5H,1H3
InChI Key:
VGNWBAHIIOXQFN-UHFFFAOYSA-N
SMILES:
CC(=N)C=C=O
Properties
Complexity:
100
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
83.037g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
83.09g/mol
Monoisotopic Mass:
83.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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