6-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid


Chemical Name: 6-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid
CAS Number: 164265-01-4
Product Number: AG001UQQ(AGN-PC-00UWZK)
Synonyms:
MDL No: MFCD04114612
Molecular Formula: C10H9ClO3
Molecular Weight: 212.6297

Identification/Properties


Computed Properties
Molecular Weight:
212.629g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
212.024g/mol
Monoisotopic Mass:
212.024g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
231
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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NMR Spectrum


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