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861328-33-8 | 4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE
CAS No: 861328-33-8 Catalog No: AG01BT3T MDL No:MFCD20729747
Product Description
Catalog Number:
AG01BT3T
Chemical Name:
4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE
CAS Number:
861328-33-8
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD20729747
IUPAC Name:
4-ethyl-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C11H11NO2/c1-2-7-8-5-3-4-6-9(8)11(14)12-10(7)13/h3-7H,2H2,1H3,(H,12,13,14)
InChI Key:
XZUGVAGZUUHFCI-UHFFFAOYSA-N
SMILES:
CCC1C(=O)NC(=O)c2c1cccc2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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