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340268-67-9 | 1(2H)-Isoquinolinone, 5-ethyl-5,6,7,8-tetrahydro-5,6,7-trihydroxy- (9CI)
CAS No: 340268-67-9 Catalog No: AG00CXIS MDL No:
Product Description
Catalog Number:
AG00CXIS
Chemical Name:
1(2H)-Isoquinolinone, 5-ethyl-5,6,7,8-tetrahydro-5,6,7-trihydroxy- (9CI)
CAS Number:
340268-67-9
IUPAC Name:
5-ethyl-5,6,7-trihydroxy-2,6,7,8-tetrahydroisoquinolin-1-one
InChI:
InChI=1S/C11H15NO4/c1-2-11(16)7-3-4-12-10(15)6(7)5-8(13)9(11)14/h3-4,8-9,13-14,16H,2,5H2,1H3,(H,12,15)
InChI Key:
OVPMSYHQVCKXCS-UHFFFAOYSA-N
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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