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1312117-82-0 | 2,4-dihydroxy-5,6,7,8-tetrahydroquinolin-5-one
CAS No: 1312117-82-0 Catalog No: AG00IU3D MDL No:MFCD19381744
Product Description
Catalog Number:
AG00IU3D
Chemical Name:
2,4-dihydroxy-5,6,7,8-tetrahydroquinolin-5-one
CAS Number:
1312117-82-0
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD19381744
IUPAC Name:
4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione
InChI:
InChI=1S/C9H9NO3/c11-6-3-1-2-5-9(6)7(12)4-8(13)10-5/h4H,1-3H2,(H2,10,12,13)
InChI Key:
ZDHKAUVUFUSVRR-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(n1)CCCC2=O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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