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3041-17-6 | 1-Benzoxepin-2(3H)-one, 4,5-dihydro-
CAS No: 3041-17-6 Catalog No: AG00301K MDL No:MFCD18450485
Product Description
Catalog Number:
AG00301K
Chemical Name:
1-Benzoxepin-2(3H)-one, 4,5-dihydro-
CAS Number:
3041-17-6
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD18450485
IUPAC Name:
4,5-dihydro-3H-1-benzoxepin-2-one
InChI:
InChI=1S/C10H10O2/c11-10-7-3-5-8-4-1-2-6-9(8)12-10/h1-2,4,6H,3,5,7H2
InChI Key:
WTCFSVGBFPOLBA-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c(O1)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:
2
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