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654059-61-7 | 5H-OXAZOLO[3,4-A]OXIRENO[C]PYRIDINE
CAS No: 654059-61-7 Catalog No: AG006R7V MDL No:
Product Description
Catalog Number:
AG006R7V
Chemical Name:
5H-OXAZOLO[3,4-A]OXIRENO[C]PYRIDINE
CAS Number:
654059-61-7
Molecular Formula:
C7H5NO2
Molecular Weight:
135.1201
IUPAC Name:
3,9-dioxa-7-azatricyclo[5.3.0.02,4]deca-1(10),2(4),5-triene
InChI:
InChI=1S/C7H5NO2/c1-2-8-4-9-3-5(8)7-6(1)10-7/h1-3H,4H2
InChI Key:
LYUCJEKYLNAWOT-UHFFFAOYSA-N
SMILES:
O1CN2C(=C1)C1=C(C=C2)O1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.032g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.122g/mol
Monoisotopic Mass:
135.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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