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132994-09-3 | Pyrimido[4,5-b]indolizine-10-carbonitrile, 3,4,6,7,8,9-hexahydro-4-oxo-
CAS No: 132994-09-3 Catalog No: AG0011GJ MDL No:
Product Description
Catalog Number:
AG0011GJ
Chemical Name:
Pyrimido[4,5-b]indolizine-10-carbonitrile, 3,4,6,7,8,9-hexahydro-4-oxo-
CAS Number:
132994-09-3
Molecular Formula:
C11H10N4O
Molecular Weight:
214.2233
IUPAC Name:
4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile
InChI:
InChI=1S/C11H10N4O/c12-5-7-8-3-1-2-4-15(8)10-9(7)13-6-14-11(10)16/h6H,1-4H2,(H,13,14,16)
InChI Key:
CXTBEDSXDOCTHE-UHFFFAOYSA-N
SMILES:
N#Cc1c2nc[nH]c(=O)c2n2c1CCCC2
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.228g/mol
Monoisotopic Mass:
214.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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