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126379-23-5 | 4,7-Methano-1H-pyrano[4,3-c]pyridine (9CI)
CAS No: 126379-23-5 Catalog No: AG000SPU MDL No:
Product Description
Catalog Number:
AG000SPU
Chemical Name:
4,7-Methano-1H-pyrano[4,3-c]pyridine (9CI)
CAS Number:
126379-23-5
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
IUPAC Name:
5-oxa-10-azatricyclo[5.3.1.03,8]undeca-1,3(8),6,9-tetraene
InChI:
InChI=1S/C9H7NO/c1-6-4-11-5-7-2-8(1)10-3-9(6)7/h1,3,5H,2,4H2
InChI Key:
JUCRKZNNMOXEEK-UHFFFAOYSA-N
SMILES:
O1C=C2Cc3cc(C1)c2cn3
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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