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852107-07-4 | 1H-Isoxazolo[4',3':4,5]cyclopenta[1,2-b]pyridine(9CI)
CAS No: 852107-07-4 Catalog No: AG004QB7 MDL No:
Product Description
Catalog Number:
AG004QB7
Chemical Name:
1H-Isoxazolo[4',3':4,5]cyclopenta[1,2-b]pyridine(9CI)
CAS Number:
852107-07-4
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
IUPAC Name:
4-oxa-3,12-diazatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene
InChI:
InChI=1S/C9H6N2O/c1-2-6-4-7-5-12-11-9(7)8(6)10-3-1/h1-5,11H
InChI Key:
DZSKJQVLYPEJOR-UHFFFAOYSA-N
SMILES:
c1ccc2c(n1)c1[nH]occ1c2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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