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42540-45-4 | 6H-Pyrrolo[3,4-e]benzoxazole
CAS No: 42540-45-4 Catalog No: AG00CY5U MDL No:
Product Description
Catalog Number:
AG00CY5U
Chemical Name:
6H-Pyrrolo[3,4-e]benzoxazole
CAS Number:
42540-45-4
IUPAC Name:
6H-pyrrolo[3,4-e][1,3]benzoxazole
InChI:
InChI=1S/C9H6N2O/c1-2-8-9(11-5-12-8)7-4-10-3-6(1)7/h1-2,4-5H,3H2
InChI Key:
ALRAPDOJMXGROB-UHFFFAOYSA-N
Properties
Complexity:
217
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:
0.9
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