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15450-69-8 | 1,2,5,6,7,8-HEXAHYDROQUINOLINE-2,5-DIONE
CAS No: 15450-69-8 Catalog No: AG00ABYM MDL No:MFCD00766821
Product Description
Catalog Number:
AG00ABYM
Chemical Name:
1,2,5,6,7,8-HEXAHYDROQUINOLINE-2,5-DIONE
CAS Number:
15450-69-8
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00766821
IUPAC Name:
1,6,7,8-tetrahydroquinoline-2,5-dione
InChI:
InChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h4-5H,1-3H2,(H,10,12)
InChI Key:
AUMQUQJTKCJMPA-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1ccc(=O)[nH]2
UNII:
517NCY12U7
NSC Number:
106699
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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