2-Coumaranone


Chemical Name: 2-Coumaranone
CAS Number: 553-86-6
Product Number: AG00I9V8(AGN-PC-0WAG2U)
Synonyms:
MDL No:
Molecular Formula: C8H6O2
Molecular Weight: 134.1320

Identification/Properties


Computed Properties
Molecular Weight:
134.134g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
134.037g/mol
Monoisotopic Mass:
134.037g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
153
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

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NMR Spectrum


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