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502494-13-5 | 1H,7H-Oxazolo[3,4-a][1,3]diazepine(9CI)
CAS No: 502494-13-5 Catalog No: AG00DX3P MDL No:
Product Description
Catalog Number:
AG00DX3P
Chemical Name:
1H,7H-Oxazolo[3,4-a][1,3]diazepine(9CI)
CAS Number:
502494-13-5
IUPAC Name:
1,7-dihydro-[1,3]oxazolo[3,4-a][1,3]diazepine
InChI:
InChI=1S/C7H8N2O/c1-2-4-9-6-10-5-7(9)8-3-1/h1-5,8H,6H2
InChI Key:
PMXOVRTWOQFVTQ-UHFFFAOYSA-N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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