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21834-98-0

21834-98-0 structural image
Product Name: FEMA 3269
Formula: C7H10O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1093 1044

COMPUTED DESCRIPTORS

Molecular Weight 126.15 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 126.068079557 g/mol
Monoisotopic Mass 126.068079557 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 179
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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