Home Other Building Blocks 2,3,4,5-tetrahydro-1-benzoxepin-3-one

2,3,4,5-tetrahydro-1-benzoxepin-3-one

CAS No.:
35783-10-9
Catalog Number:
AG01BFO0
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
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Product Description
Catalog Number:
AG01BFO0
Chemical Name:
2,3,4,5-tetrahydro-1-benzoxepin-3-one
CAS Number:
35783-10-9
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD18450459
IUPAC Name:
4,5-dihydro-1-benzoxepin-3-one
InChI:
InChI=1S/C10H10O2/c11-9-6-5-8-3-1-2-4-10(8)12-7-9/h1-4H,5-7H2
InChI Key:
KKXKJOBVUSXAFR-UHFFFAOYSA-N
SMILES:
O=C1COc2c(CC1)cccc2
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties