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264620-20-4 | 1H,3H-Oxazolo[3,4-d][1,4]diazepine (9CI)
CAS No: 264620-20-4 Catalog No: AG002TB9 MDL No:
Product Description
Catalog Number:
AG002TB9
Chemical Name:
1H,3H-Oxazolo[3,4-d][1,4]diazepine (9CI)
CAS Number:
264620-20-4
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
IUPAC Name:
1,3-dihydro-[1,3]oxazolo[3,4-d][1,4]diazepine
InChI:
InChI=1S/C7H8N2O/c1-2-8-3-4-9-6-10-5-7(1)9/h1-4H,5-6H2
InChI Key:
WCOTYEPREXIKGE-UHFFFAOYSA-N
SMILES:
N1=CC=C2N(C=C1)COC2
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:
0
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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