Home Halogens (1E)-1-chloro-4-methylpent-1-en-3-one, E

(1E)-1-chloro-4-methylpent-1-en-3-one, E

CAS No.:
58953-14-3
Catalog Number:
AG01B6SR
Molecular Formula:
C6H9ClO
Molecular Weight:
132.5881
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Product Description
Catalog Number:
AG01B6SR
Chemical Name:
(1E)-1-chloro-4-methylpent-1-en-3-one, E
CAS Number:
58953-14-3
Molecular Formula:
C6H9ClO
Molecular Weight:
132.5881
MDL Number:
MFCD01709077
IUPAC Name:
1-chloro-4-methylpent-1-en-3-one
InChI:
InChI=1S/C6H9ClO/c1-5(2)6(8)3-4-7/h3-5H,1-2H3
InChI Key:
YCDOHSUMKPOXSR-UHFFFAOYSA-N
SMILES:
Cl/C=C/C(=O)C(C)C
Properties
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.034g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.587g/mol
Monoisotopic Mass:
132.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.9  
Properties