Home Other Building Blocks 2H,3H,4H,5H,7H,8H,9H-indeno[5,6-b]oxepin-5-one

2H,3H,4H,5H,7H,8H,9H-indeno[5,6-b]oxepin-5-one

CAS No.:
206435-98-5
Catalog Number:
AG01A09S
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
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Product Description
Catalog Number:
AG01A09S
Chemical Name:
2H,3H,4H,5H,7H,8H,9H-indeno[5,6-b]oxepin-5-one
CAS Number:
206435-98-5
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
MDL Number:
MFCD11104776
IUPAC Name:
2,3,4,7,8,9-hexahydrocyclopenta[h][1]benzoxepin-5-one
InChI:
InChI=1S/C13H14O2/c14-12-5-2-6-15-13-8-10-4-1-3-9(10)7-11(12)13/h7-8H,1-6H2
InChI Key:
ZVODBHXATUGMTO-UHFFFAOYSA-N
SMILES:
O=C1CCCOc2c1cc1CCCc1c2
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties