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1-Penten-3-one

CAS No.:
1629-58-9
Catalog Number:
AG001TJ8
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
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Product Description
Catalog Number:
AG001TJ8
Chemical Name:
1-Penten-3-one
CAS Number:
1629-58-9
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
MDL Number:
MFCD00009316
IUPAC Name:
pent-1-en-3-one
InChI:
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InChI Key:
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES:
CCC(=O)C=C
EC Number:
216-624-3
UNII:
R0053Y1AZ7
NSC Number:
81211
FEMA Number:
3382
Properties
Complexity:
64.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.058g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
84.118g/mol
Monoisotopic Mass:
84.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
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Properties