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27666-39-3 | 5H-Pyrrolo[3,4-f]benzoxazole
CAS No: 27666-39-3 Catalog No: AG002UD6 MDL No:
Product Description
Catalog Number:
AG002UD6
Chemical Name:
5H-Pyrrolo[3,4-f]benzoxazole
CAS Number:
27666-39-3
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
IUPAC Name:
5H-pyrrolo[3,4-f][1,3]benzoxazole
InChI:
InChI=1S/C9H6N2O/c1-6-3-10-4-7(6)2-9-8(1)11-5-12-9/h1-2,4-5H,3H2
InChI Key:
SYMWRHJOEIJOAF-UHFFFAOYSA-N
SMILES:
N1=Cc2c(C1)cc1c(c2)ocn1
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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