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104902-93-4 | Isoquinoline, 1,2,3,4-tetrahydro-2-(1-oxo-2-propenyl)-
CAS No: 104902-93-4 Catalog No: AG007G3L MDL No:MFCD12091111
Product Description
Catalog Number:
AG007G3L
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-(1-oxo-2-propenyl)-
CAS Number:
104902-93-4
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD12091111
IUPAC Name:
1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
InChI:
InChI=1S/C12H13NO/c1-2-12(14)13-8-7-10-5-3-4-6-11(10)9-13/h2-6H,1,7-9H2
InChI Key:
FEHCAXYVAIQYCK-UHFFFAOYSA-N
SMILES:
C=CC(=O)N1CCc2c(C1)cccc2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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