2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-,2-(1,1-dimethylethyl) ester, (3S)-


Chemical Name: 2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-,2-(1,1-dimethylethyl) ester, (3S)-
CAS Number: 78879-20-6
Product Number: AG003CNV(AGN-PC-0UDZST)
Synonyms:
MDL No: MFCD00143845
Molecular Formula: C15H19NO4
Molecular Weight: 277.3157

Identification/Properties


Properties
MP:
125-126.5 °C
BP:
266.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.5080 (estimate)
Computed Properties
Molecular Weight:
277.32g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
277.131g/mol
Monoisotopic Mass:
277.131g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
388
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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