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89641-73-6 | 3-Penten-2-one, 1-chloro-4-methyl-
CAS No: 89641-73-6 Catalog No: AG003VW7 MDL No:
Product Description
Catalog Number:
AG003VW7
Chemical Name:
3-Penten-2-one, 1-chloro-4-methyl-
CAS Number:
89641-73-6
Molecular Formula:
C6H9ClO
Molecular Weight:
132.5881
IUPAC Name:
1-chloro-4-methylpent-3-en-2-one
InChI:
InChI=1S/C6H9ClO/c1-5(2)3-6(8)4-7/h3H,4H2,1-2H3
InChI Key:
MMJRFDNQONQATR-UHFFFAOYSA-N
SMILES:
ClCC(=O)C=C(C)C
Properties
Complexity:
112
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:
0
XLogP3:
2
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