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13615-41-3

13615-41-3 | 1-(1H-Indol- 3-yl)-1,2,3-propanetriol

CAS No: 13615-41-3 Catalog No: AG0071BU MDL No:

Product Description

Catalog Number:
AG0071BU
Chemical Name:
1-(1H-Indol- 3-yl)-1,2,3-propanetriol
CAS Number:
13615-41-3
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
1-(1H-indol-3-yl)propane-1,2,3-triol
InChI:
InChI=1S/C11H13NO3/c13-6-10(14)11(15)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-15H,6H2
InChI Key:
XINKZRRAVQNCLX-UHFFFAOYSA-N
SMILES:
OCC(C(c1c[nH]c2c1cccc2)O)O

Properties

Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

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