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201487-90-3 | 4H-Isoxazolo[5,4-e][1,4]diazepin-4-one,5,6,7,8-tetrahydro-3-methyl-(9CI)
CAS No: 201487-90-3 Catalog No: AG00CFHR MDL No:
Product Description
Catalog Number:
AG00CFHR
Chemical Name:
4H-Isoxazolo[5,4-e][1,4]diazepin-4-one,5,6,7,8-tetrahydro-3-methyl-(9CI)
CAS Number:
201487-90-3
IUPAC Name:
3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[5,4-e][1,4]diazepin-4-one
InChI:
InChI=1S/C7H9N3O2/c1-4-5-6(11)8-2-3-9-7(5)12-10-4/h9H,2-3H2,1H3,(H,8,11)
InChI Key:
IYEDNQYXBIGKQE-UHFFFAOYSA-N
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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