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Home > Other Heterocycles > 91528-42-6
91528-42-6 | 4-Oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one, 3-(4H-pyranyl)-
CAS No: 91528-42-6 Catalog No: AG006LDC MDL No:
Product Description
Catalog Number:
AG006LDC
Chemical Name:
4-Oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one, 3-(4H-pyranyl)-
CAS Number:
91528-42-6
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
IUPAC Name:
3-(4H-pyran-2-yl)-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one
InChI:
InChI=1S/C9H8N2O3/c12-7-6-9(11-7)14-8(10-6)5-3-1-2-4-13-5/h2-4,6,9H,1H2,(H,11,12)
InChI Key:
LROSVKCHNYPBFB-UHFFFAOYSA-N
SMILES:
O=C1NC2C1N=C(O2)C1=CCC=CO1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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