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28763-77-1 | benzofuro[3,2-c][1]benzoxepin-6(12H)-one
CAS No: 28763-77-1 Catalog No: AG002WEJ MDL No:
Product Description
Catalog Number:
AG002WEJ
Chemical Name:
benzofuro[3,2-c][1]benzoxepin-6(12H)-one
CAS Number:
28763-77-1
Molecular Formula:
C16H10O3
Molecular Weight:
250.2488
IUPAC Name:
12H-[1]benzofuro[3,2-c][1]benzoxepin-6-one
InChI:
InChI=1S/C16H10O3/c17-15-11-6-2-3-7-13(11)18-9-12-10-5-1-4-8-14(10)19-16(12)15/h1-8H,9H2
InChI Key:
LIQMKBIZDZHRDK-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2OCc2c1oc1c2cccc1
EC Number:
249-203-8
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.253g/mol
Monoisotopic Mass:
250.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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