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574740-70-8 | 5-(HYDROXYMETHYL)-1,2-DIHYDRO-4H-PYRROLO[3,2,1-IJ]QUINOLIN-4-ONE
CAS No: 574740-70-8 Catalog No: AG01C6G0 MDL No:MFCD06202960
Product Description
Catalog Number:
AG01C6G0
Chemical Name:
5-(HYDROXYMETHYL)-1,2-DIHYDRO-4H-PYRROLO[3,2,1-IJ]QUINOLIN-4-ONE
CAS Number:
574740-70-8
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD06202960
IUPAC Name:
10-(hydroxymethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
InChI:
InChI=1S/C12H11NO2/c14-7-10-6-9-3-1-2-8-4-5-13(11(8)9)12(10)15/h1-3,6,14H,4-5,7H2
InChI Key:
PWJAYANXDGZILN-UHFFFAOYSA-N
SMILES:
OCc1cc2cccc3c2n(c1=O)CC3
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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