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114365-09-2

114365-09-2 | 1H-Indole-5-carboxylic acid, 3-[2-(dimethylamino)ethyl]-

CAS No: 114365-09-2 Catalog No: AG000B6E MDL No:

Product Description

Catalog Number:
AG000B6E
Chemical Name:
1H-Indole-5-carboxylic acid, 3-[2-(dimethylamino)ethyl]-
CAS Number:
114365-09-2
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxylic acid
InChI:
InChI=1S/C13H16N2O2/c1-15(2)6-5-10-8-14-12-4-3-9(13(16)17)7-11(10)12/h3-4,7-8,14H,5-6H2,1-2H3,(H,16,17)
InChI Key:
MABBNMFRXNHQIA-UHFFFAOYSA-N
SMILES:
CN(CCc1c[nH]c2c1cc(cc2)C(=O)O)C

Properties

Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  

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