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6001-87-2

6001-87-2 structural image
Product Name: 3-CHLOROPROPIONIC ACID METHYL ESTER
Formula: C4H7ClO2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 833 799 819 829 838 823 824 831 833 823 825

COMPUTED DESCRIPTORS

Molecular Weight 122.55 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 122.0134572 g/mol
Monoisotopic Mass 122.0134572 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 62.7
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes