Home Other Building Blocks 2-{3a-methyl-1,5-dioxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazolin-4-yl}acetic acid

2-{3a-methyl-1,5-dioxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazolin-4-yl}acetic acid

CAS No.:
1000933-03-8
Catalog Number:
AG019LHB
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
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Product Description
Catalog Number:
AG019LHB
Chemical Name:
2-{3a-methyl-1,5-dioxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinazolin-4-yl}acetic acid
CAS Number:
1000933-03-8
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
MDL Number:
MFCD09971439
IUPAC Name:
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetic acid
InChI:
InChI=1S/C14H14N2O4/c1-14-7-6-11(17)16(14)10-5-3-2-4-9(10)13(20)15(14)8-12(18)19/h2-5H,6-8H2,1H3,(H,18,19)
InChI Key:
UZCYJZNYWPMFAB-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=O)c2ccccc2N2C1(C)CCC2=O
Properties
Complexity:
478  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.095g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
274.276g/mol
Monoisotopic Mass:
274.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties