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777022-82-9

777022-82-9 | 4H-Isoxazolo[4,5-d]azepine,5,6,7,8-tetrahydro-3-methoxy-(9CI)

CAS No: 777022-82-9 Catalog No: AG00GDRG MDL No:

Product Description

Catalog Number:
AG00GDRG
Chemical Name:
4H-Isoxazolo[4,5-d]azepine,5,6,7,8-tetrahydro-3-methoxy-(9CI)
CAS Number:
777022-82-9
IUPAC Name:
3-methoxy-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepine
InChI:
InChI=1S/C8H12N2O2/c1-11-8-6-2-4-9-5-3-7(6)12-10-8/h9H,2-5H2,1H3
InChI Key:
XOQMGSWBFVDATG-UHFFFAOYSA-N

Properties

Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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