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410538-30-6 | 2-(prop-2-yn-1-yl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS No: 410538-30-6 Catalog No: AG01A23B MDL No:MFCD14631783
Product Description
Catalog Number:
AG01A23B
Chemical Name:
2-(prop-2-yn-1-yl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS Number:
410538-30-6
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD14631783
IUPAC Name:
2-prop-2-ynyl-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C12H9NO2/c1-2-7-13-11(14)8-9-5-3-4-6-10(9)12(13)15/h1,3-6H,7-8H2
InChI Key:
YZYPZVSAWSEQEP-UHFFFAOYSA-N
SMILES:
C#CCN1C(=O)Cc2c(C1=O)cccc2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.209g/mol
Monoisotopic Mass:
199.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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