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122521-97-5 | 1,4-Methano-1H-pyrrolo[2,1-c][1,4]oxazine (9CI)
CAS No: 122521-97-5 Catalog No: AG0017DJ MDL No:MFCD18806299
Product Description
Catalog Number:
AG0017DJ
Chemical Name:
1,4-Methano-1H-pyrrolo[2,1-c][1,4]oxazine (9CI)
CAS Number:
122521-97-5
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD18806299
IUPAC Name:
8-oxa-2-azatricyclo[5.2.1.02,6]deca-1(9),3,5-triene
InChI:
InChI=1S/C8H7NO/c1-2-7-8-4-6(5-10-8)9(7)3-1/h1-3,5,8H,4H2
InChI Key:
VUQOCIJKMFJUFK-UHFFFAOYSA-N
SMILES:
c1cn2c(c1)C1CC2=CO1
Properties
Complexity:
199
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:
1
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:
14.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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