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126-15-8 | 4a(4H)-Dibenzofurancarboxaldehyde, 1,5a,6,9,9a,9b-hexahydro-
CAS No: 126-15-8 Catalog No: AG000QO8 MDL No:
Product Description
Catalog Number:
AG000QO8
Chemical Name:
4a(4H)-Dibenzofurancarboxaldehyde, 1,5a,6,9,9a,9b-hexahydro-
CAS Number:
126-15-8
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde
InChI:
InChI=1S/C13H16O2/c14-9-13-8-4-3-6-11(13)10-5-1-2-7-12(10)15-13/h1-4,9-12H,5-8H2
InChI Key:
XNYGOEGATLFFOX-UHFFFAOYSA-N
SMILES:
O=CC12CC=CCC2C2C(O1)CC=CC2
EC Number:
204-773-7
NSC Number:
52965
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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