Home Other Building Blocks 2-HYDROXY-2-PHENYLBUTANOIC ACID

2-HYDROXY-2-PHENYLBUTANOIC ACID

CAS No.:
35468-69-0
Catalog Number:
AG01DWDC
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
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Product Description
Catalog Number:
AG01DWDC
Chemical Name:
2-HYDROXY-2-PHENYLBUTANOIC ACID
CAS Number:
35468-69-0
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00109290
IUPAC Name:
2-hydroxy-2-phenylbutanoic acid
InChI:
InChI=1S/C10H12O3/c1-2-10(13,9(11)12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,11,12)
InChI Key:
QYCBZFRDGXIZIP-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)(C(=O)O)O
NSC Number:
147098
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and structure-activity relationship studies for hydantoins and analogues as voltage-gated sodium channel ligands. Journal of medicinal chemistry 20041216
Properties