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lithium(1+) ion 4-hydroxy-2-phenylbutanoate

CAS No.:
2059942-64-0
Catalog Number:
AG01BS5N
Molecular Formula:
C10H11LiO3
Molecular Weight:
186.1335
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Product Description
Catalog Number:
AG01BS5N
Chemical Name:
lithium(1+) ion 4-hydroxy-2-phenylbutanoate
CAS Number:
2059942-64-0
Molecular Formula:
C10H11LiO3
Molecular Weight:
186.1335
MDL Number:
MFCD30536064
IUPAC Name:
lithium;4-hydroxy-2-phenylbutanoate
InChI:
InChI=1S/C10H12O3.Li/c11-7-6-9(10(12)13)8-4-2-1-3-5-8;/h1-5,9,11H,6-7H2,(H,12,13);/q;+1/p-1
InChI Key:
GSRBPOHRKDUDNX-UHFFFAOYSA-M
SMILES:
OCCC(c1ccccc1)C(=O)[O-].[Li+]
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.087g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.135g/mol
Monoisotopic Mass:
186.087g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties