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119596-58-6 | 2H,6H-Cyclopropa[3,4]pyrrolo[2,1-b][1,3]oxazine (9CI)
CAS No: 119596-58-6 Catalog No: AG000P8G MDL No:
Product Description
Catalog Number:
AG000P8G
Chemical Name:
2H,6H-Cyclopropa[3,4]pyrrolo[2,1-b][1,3]oxazine (9CI)
CAS Number:
119596-58-6
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
IUPAC Name:
10-oxa-6-azatricyclo[4.4.0.02,4]deca-1,3,7-triene
InChI:
InChI=1S/C8H7NO/c1-2-9-5-6-4-7(6)8(9)10-3-1/h1-2,4H,3,5H2
InChI Key:
QLOWFMKETIWJPV-UHFFFAOYSA-N
SMILES:
C1=CN2C(=C3C(=C3)C2)OC1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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