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126020-05-1 | 4,8-Methano-4H-1,3-dioxolo[4,5-c]azepine (9CI)
CAS No: 126020-05-1 Catalog No: AG000QSC MDL No:
Product Description
Catalog Number:
AG000QSC
Chemical Name:
4,8-Methano-4H-1,3-dioxolo[4,5-c]azepine (9CI)
CAS Number:
126020-05-1
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
IUPAC Name:
3,5-dioxa-8-azatricyclo[5.3.1.02,6]undeca-1(10),2(6),8-triene
InChI:
InChI=1S/C8H7NO2/c1-2-9-6-3-5(1)7-8(6)11-4-10-7/h1-2,6H,3-4H2
InChI Key:
RAMBVZFXDBSWGX-UHFFFAOYSA-N
SMILES:
C1=NC2CC(=C1)C1=C2OCO1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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