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140472-46-4 | Pyrrolo[2,1-b]quinazolin-1(2H)-one, 3,3a,4,9-tetrahydro-
CAS No: 140472-46-4 Catalog No: AG001CIB MDL No:
Product Description
Catalog Number:
AG001CIB
Chemical Name:
Pyrrolo[2,1-b]quinazolin-1(2H)-one, 3,3a,4,9-tetrahydro-
CAS Number:
140472-46-4
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one
InChI:
InChI=1S/C11H12N2O/c14-11-6-5-10-12-9-4-2-1-3-8(9)7-13(10)11/h1-4,10,12H,5-7H2
InChI Key:
ALOLZHFDGIFNIZ-UHFFFAOYSA-N
SMILES:
O=C1CCC2N1Cc1ccccc1N2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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