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92883-80-2

92883-80-2 | Pyrrolo[2,1-b]quinazoline-3-carboxaldehyde, 1,2,3,9-tetrahydro-9-oxo-

CAS No: 92883-80-2 Catalog No: AG00686R MDL No:

Product Description

Catalog Number:
AG00686R
Chemical Name:
Pyrrolo[2,1-b]quinazoline-3-carboxaldehyde, 1,2,3,9-tetrahydro-9-oxo-
CAS Number:
92883-80-2
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde
InChI:
InChI=1S/C12H10N2O2/c15-7-8-5-6-14-11(8)13-10-4-2-1-3-9(10)12(14)16/h1-4,7-8H,5-6H2
InChI Key:
DEPOHBYNDHQAGG-UHFFFAOYSA-N
SMILES:
O=CC1CCn2c1nc1ccccc1c2=O

Properties

Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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