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32530-61-3 | 4H-Pyrrolo[2,3-g]-1,2-benzisoxazole
CAS No: 32530-61-3 Catalog No: AG007FB3 MDL No:
Product Description
Catalog Number:
AG007FB3
Chemical Name:
4H-Pyrrolo[2,3-g]-1,2-benzisoxazole
CAS Number:
32530-61-3
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
IUPAC Name:
4H-pyrrolo[2,3-g][1,2]benzoxazole
InChI:
InChI=1S/C9H6N2O/c1-2-8-7(3-4-10-8)9-6(1)5-11-12-9/h2-5H,1H2
InChI Key:
GVBJZJCLTYJSNO-UHFFFAOYSA-N
SMILES:
C1=NC2=CCc3c(C2=C1)onc3
Properties
Complexity:
304
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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