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

3-hydroxy-3-methyl-2-phenoxybutanoic acid

CAS No.:
64682-85-5
Catalog Number:
AG01ALKE
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
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Product Description
Catalog Number:
AG01ALKE
Chemical Name:
3-hydroxy-3-methyl-2-phenoxybutanoic acid
CAS Number:
64682-85-5
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
MDL Number:
MFCD24482407
IUPAC Name:
3-hydroxy-3-methyl-2-phenoxybutanoic acid
InChI:
InChI=1S/C11H14O4/c1-11(2,14)9(10(12)13)15-8-6-4-3-5-7-8/h3-7,9,14H,1-2H3,(H,12,13)
InChI Key:
PELCOGJEMHVRGX-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(O)(C)C)Oc1ccccc1
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties