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220976-09-0 | 7-Quinolinol, trihydrate
CAS No: 220976-09-0 Catalog No: AG00709L MDL No:
Product Description
Catalog Number:
AG00709L
Chemical Name:
7-Quinolinol, trihydrate
CAS Number:
220976-09-0
Molecular Formula:
C9H13NO4
Molecular Weight:
199.2038
IUPAC Name:
quinolin-7-ol;trihydrate
InChI:
InChI=1S/C9H7NO.3H2O/c11-8-4-3-7-2-1-5-10-9(7)6-8;;;/h1-6,11H;3*1H2
InChI Key:
FXTDFBKLWOHZBA-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)nccc2.O.O.O
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
199.206g/mol
Monoisotopic Mass:
199.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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