Home Other Building Blocks 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-

5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-

CAS No.:
22891-52-7
Catalog Number:
AG002LDW
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
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Product Description
Catalog Number:
AG002LDW
Chemical Name:
5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-
CAS Number:
22891-52-7
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD00236035
IUPAC Name:
2,3-dihydro-1,4-benzodioxepin-5-one
InChI:
InChI=1S/C9H8O3/c10-9-7-3-1-2-4-8(7)11-5-6-12-9/h1-4H,5-6H2
InChI Key:
PYVNMBGWXYJCCL-UHFFFAOYSA-N
SMILES:
O=C1OCCOc2c1cccc2
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties