Home Other Building Blocks 2-hydroxy-2-methyl-3-phenylbutanoic acid

2-hydroxy-2-methyl-3-phenylbutanoic acid

CAS No.:
1375473-28-1
Catalog Number:
AG019TGO
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
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Product Description
Catalog Number:
AG019TGO
Chemical Name:
2-hydroxy-2-methyl-3-phenylbutanoic acid
CAS Number:
1375473-28-1
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD21602623
IUPAC Name:
2-hydroxy-2-methyl-3-phenylbutanoic acid
InChI:
InChI=1S/C11H14O3/c1-8(11(2,14)10(12)13)9-6-4-3-5-7-9/h3-8,14H,1-2H3,(H,12,13)
InChI Key:
VHLFCAAQEUXARG-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)(O)C)c1ccccc1
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties