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73771-98-9 | 4,7-Methano-1,3-dioxolo[4,5-e][1,2]oxazepine(9CI)
CAS No: 73771-98-9 Catalog No: AG005KO1 MDL No:MFCD18819713
Product Description
Catalog Number:
AG005KO1
Chemical Name:
4,7-Methano-1,3-dioxolo[4,5-e][1,2]oxazepine(9CI)
CAS Number:
73771-98-9
Molecular Formula:
C7H5NO3
Molecular Weight:
151.1195
MDL Number:
MFCD18819713
IUPAC Name:
3,5,10-trioxa-9-azatricyclo[6.2.1.02,6]undeca-1,6,8-triene
InChI:
InChI=1S/C7H5NO3/c1-4-2-6(11-8-4)7-5(1)9-3-10-7/h1H,2-3H2
InChI Key:
GBRGNZFCBVFUDG-UHFFFAOYSA-N
SMILES:
C1OC2=C3ON=C(C=C2O1)C3
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.121g/mol
Monoisotopic Mass:
151.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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