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84847-50-7 | (S);-3,7-Dihydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H);-one
CAS No: 84847-50-7 Catalog No: AG004N3U MDL No:MFCD20260334
Product Description
Catalog Number:
AG004N3U
Chemical Name:
(S);-3,7-Dihydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H);-one
CAS Number:
84847-50-7
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD20260334
IUPAC Name:
(3S)-3,7-dihydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
InChI:
InChI=1S/C11H10N2O3/c14-6-1-2-8-7(5-6)11(16)13-4-3-9(15)10(13)12-8/h1-2,5,9,14-15H,3-4H2/t9-/m0/s1
InChI Key:
MKNHUAILAQZBTQ-VIFPVBQESA-N
SMILES:
Oc1ccc2c(c1)c(=O)n1c(n2)[C@H](CC1)O
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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