Home Other Building Blocks 2-hydroxy-2-methyl-4-phenylbutanoic acid

2-hydroxy-2-methyl-4-phenylbutanoic acid

CAS No.:
4374-63-4
Catalog Number:
AG01B8SX
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
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Product Description
Catalog Number:
AG01B8SX
Chemical Name:
2-hydroxy-2-methyl-4-phenylbutanoic acid
CAS Number:
4374-63-4
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD14601982
IUPAC Name:
2-hydroxy-2-methyl-4-phenylbutanoic acid
InChI:
InChI=1S/C11H14O3/c1-11(14,10(12)13)8-7-9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,12,13)
InChI Key:
DAVARADSUFYREX-UHFFFAOYSA-N
SMILES:
OC(=O)C(CCc1ccccc1)(O)C
Properties
Complexity:
197  
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:
4  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties