1H-Indole-2-carboxylic acid, octahydro-, (2S,3aS,7aS)-


Chemical Name: 1H-Indole-2-carboxylic acid, octahydro-, (2S,3aS,7aS)-
CAS Number: 80875-98-5
Product Number: AG003BOW(AGN-PC-0OIGHB)
Synonyms:
MDL No: MFCD07782125
Molecular Formula: C9H15NO2
Molecular Weight: 169.2209

Identification/Properties


Properties
MP:
275-277°C
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
169.224g/mol
XLogP3:
-1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
169.11g/mol
Monoisotopic Mass:
169.11g/mol
Topological Polar Surface Area:
49.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
193
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352-P337+P313-P362+P364-P332+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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