Benzo[b]cyclopropa[e]pyran-1a(1H)-carboxylic acid,7,7a-dihydro-7-(hydroxyimino)-, ethyl ester


Chemical Name: Benzo[b]cyclopropa[e]pyran-1a(1H)-carboxylic acid,7,7a-dihydro-7-(hydroxyimino)-, ethyl ester
CAS Number: 179067-99-3
Product Number: AG0026R6(AGN-PC-0QBHEF)
Synonyms:
MDL No: MFCD00947859
Molecular Formula: C13H13NO4
Molecular Weight: 247.2466

Identification/Properties


Properties
Form:
Solid
Computed Properties
Molecular Weight:
247.25g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
247.084g/mol
Monoisotopic Mass:
247.084g/mol
Topological Polar Surface Area:
68.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
395
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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