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141974-84-7 | Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydromethoxy- (9CI)
CAS No: 141974-84-7 Catalog No: AG001HH5 MDL No:
Product Description
Catalog Number:
AG001HH5
Chemical Name:
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydromethoxy- (9CI)
CAS Number:
141974-84-7
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
8-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
InChI:
InChI=1S/C12H12N2O2/c1-16-9-5-2-4-8-11(9)12(15)14-7-3-6-10(14)13-8/h2,4-5H,3,6-7H2,1H3
InChI Key:
GVVYSUNKTNLDTP-UHFFFAOYSA-N
SMILES:
COC1CCc2n1c(=O)c1c(n2)cccc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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