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74581-13-8 | Methyl (3-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl)carbamate
CAS No: 74581-13-8 Catalog No: AG01EBXW MDL No:
Product Description
Catalog Number:
AG01EBXW
Chemical Name:
Methyl (3-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl)carbamate
CAS Number:
74581-13-8
IUPAC Name:
methyl N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)carbamate
InChI:
InChI=1S/C11H12N2O3/c1-16-11(15)13-9-8-5-3-2-4-7(8)6-12-10(9)14/h2-5,9H,6H2,1H3,(H,12,14)(H,13,15)
InChI Key:
PVPNCRWOTQKALN-UHFFFAOYSA-N
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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