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113492-12-9 | 1,3-Dioxolo[4,5-f][1,4]diazocine (9CI)
CAS No: 113492-12-9 Catalog No: AG0008QS MDL No:MFCD18805911
Product Description
Catalog Number:
AG0008QS
Chemical Name:
1,3-Dioxolo[4,5-f][1,4]diazocine (9CI)
CAS Number:
113492-12-9
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
MDL Number:
MFCD18805911
IUPAC Name:
[1,3]dioxolo[4,5-f][1,4]diazocine
InChI:
InChI=1S/C7H6N2O2/c1-2-9-4-7-6(3-8-1)10-5-11-7/h1-4H,5H2
InChI Key:
GCARAXGNKRDSHN-UHFFFAOYSA-N
SMILES:
C1OC2=CN=CC=NC=C2O1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.137g/mol
Monoisotopic Mass:
150.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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