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141106-34-5 | 1-Benzoxepin-5(2H)-one, 8-ethyl-3,4-dihydro-
CAS No: 141106-34-5 Catalog No: AG001FXH MDL No:
Product Description
Catalog Number:
AG001FXH
Chemical Name:
1-Benzoxepin-5(2H)-one, 8-ethyl-3,4-dihydro-
CAS Number:
141106-34-5
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
8-ethyl-3,4-dihydro-2H-1-benzoxepin-5-one
InChI:
InChI=1S/C12H14O2/c1-2-9-5-6-10-11(13)4-3-7-14-12(10)8-9/h5-6,8H,2-4,7H2,1H3
InChI Key:
ARUGYJMIYVNMMI-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)OCCCC2=O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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