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546-48-5

546-48-5 structural image
Product Name: 1-Methoxy-2-propyl propanoate
Formula: C10H21N.C4H6O6
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 135.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

COMPUTED DESCRIPTORS

Molecular Weight 305.37 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 305.18383758 g/mol
Monoisotopic Mass 305.18383758 g/mol
Topological Polar Surface Area 118 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 265
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

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