1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-


Chemical Name: 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-
CAS Number: 4431-01-0
Product Number: AG00I8EL(AGN-PC-0JSEXG)
Synonyms:
MDL No:
Molecular Formula: C12H14O2
Molecular Weight: 190.23836

Identification/Properties


Computed Properties
Molecular Weight:
190.242g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
190.099g/mol
Monoisotopic Mass:
190.099g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
345
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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


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