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92897-91-1 | 4H-1,3,5-Dioxazocine-7-carboxaldehyde, 5,8-dihydro-2,6-diphenyl-
CAS No: 92897-91-1 Catalog No: AG00686A MDL No:
Product Description
Catalog Number:
AG00686A
Chemical Name:
4H-1,3,5-Dioxazocine-7-carboxaldehyde, 5,8-dihydro-2,6-diphenyl-
CAS Number:
92897-91-1
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
2,6-diphenyl-5,8-dihydro-4H-1,3,5-dioxazocine-7-carbaldehyde
InChI:
InChI=1S/C18H17NO3/c20-11-16-12-21-18(15-9-5-2-6-10-15)22-13-19-17(16)14-7-3-1-4-8-14/h1-11,18-19H,12-13H2
InChI Key:
KVBDRFPREDJFAD-UHFFFAOYSA-N
SMILES:
O=CC1=C(NCOC(OC1)c1ccccc1)c1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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