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154099-32-8

154099-32-8 | 2H-Isoxazolo[5,4-d]azonine(9CI)

CAS No: 154099-32-8 Catalog No: AG007XS0 MDL No:

Product Description

Catalog Number:
AG007XS0
Chemical Name:
2H-Isoxazolo[5,4-d]azonine(9CI)
CAS Number:
154099-32-8
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
IUPAC Name:
8H-[1,2]oxazolo[5,4-d]azonine
InChI:
InChI=1S/C9H8N2O/c1-2-5-10-6-4-9-8(3-1)7-11-12-9/h1-7,10H
InChI Key:
ZKAXWMMYAFBRQE-UHFFFAOYSA-N
SMILES:
c1cccc2c(ccn1)o[nH]c2

Properties

Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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