6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid


Chemical Name: 6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CAS Number: 362492-00-0
Product Number: AG00BZP7(AGN-PC-03MXVQ)
Synonyms:
MDL No:
Molecular Formula: C15H19NO5
Molecular Weight: 293.3151

Identification/Properties


Properties
BP:
497.928 °C at 760 mmHg
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
293.319g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
293.126g/mol
Monoisotopic Mass:
293.126g/mol
Topological Polar Surface Area:
87.1A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
417
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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