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1638768-64-5 | Spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione
CAS No: 1638768-64-5 Catalog No: AG00HZ14 MDL No:MFCD27987512
Product Description
Catalog Number:
AG00HZ14
Chemical Name:
Spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione
CAS Number:
1638768-64-5
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD27987512
IUPAC Name:
spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione
InChI:
InChI=1S/C12H12N2O2/c15-8-3-5-12(6-4-8)9-2-1-7-13-10(9)14-11(12)16/h1-2,7H,3-6H2,(H,13,14,16)
InChI Key:
DNICOHONTWLGEP-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C31CCC(=O)CC3)cccn2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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