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84434-87-7 | 1H-Indole-3-aceticacid, lithium salt (1:1)
CAS No: 84434-87-7 Catalog No: AG0055NY MDL No:
Product Description
Catalog Number:
AG0055NY
Chemical Name:
1H-Indole-3-aceticacid, lithium salt (1:1)
CAS Number:
84434-87-7
Molecular Formula:
C10H8LiNO2
Molecular Weight:
181.1170
IUPAC Name:
lithium;2-(1H-indol-3-yl)acetate
InChI:
InChI=1S/C10H9NO2.Li/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,11H,5H2,(H,12,13);/q;+1/p-1
InChI Key:
FRVPNUXWQWLOTB-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cc1c[nH]c2c1cccc2.[Li+]
EC Number:
282-880-8
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.119g/mol
Monoisotopic Mass:
181.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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