1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carboxylic acid


Chemical Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carboxylic acid
CAS Number: 675606-20-9
Product Number: AG00FC93(AGN-PC-09TBPM)
Synonyms:
MDL No:
Molecular Formula: C14H15NO4
Molecular Weight: 261.2732

Identification/Properties


Computed Properties
Molecular Weight:
261.277g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
261.1g/mol
Monoisotopic Mass:
261.1g/mol
Topological Polar Surface Area:
68.5A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
374
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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


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

NMR Spectrum


Other Analytical Data


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