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161025-83-8 | 3,6-Methano-1H-furo[3,4-b]pyrrole (9CI)
CAS No: 161025-83-8 Catalog No: AG001VKY MDL No:
Product Description
Catalog Number:
AG001VKY
Chemical Name:
3,6-Methano-1H-furo[3,4-b]pyrrole (9CI)
CAS Number:
161025-83-8
Molecular Formula:
C7H5NO
Molecular Weight:
119.1207
IUPAC Name:
4-oxa-8-azatricyclo[4.3.0.03,7]nona-1(9),3(7),5-triene
InChI:
InChI=1S/C7H5NO/c1-4-2-8-7-5(4)3-9-6(1)7/h2-3,8H,1H2
InChI Key:
XUEKBLBRDKKYLY-UHFFFAOYSA-N
SMILES:
c1[nH]c2c3c1Cc2oc3
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.037g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
119.123g/mol
Monoisotopic Mass:
119.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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