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18060-77-0

18060-77-0 structural image
Product Name: CROTONIC ACID ISOPROPYL ESTER
Formula: C7H12O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 864 863 863 863

COMPUTED DESCRIPTORS

Molecular Weight 128.17 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 128.083729621 g/mol
Monoisotopic Mass 128.083729621 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 114
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes