Home Other Building Blocks 2-methyl-4-phenoxybutanoic acid

2-methyl-4-phenoxybutanoic acid

CAS No.:
22720-42-9
Catalog Number:
AG019T2Z
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
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Product Description
Catalog Number:
AG019T2Z
Chemical Name:
2-methyl-4-phenoxybutanoic acid
CAS Number:
22720-42-9
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD00142095
IUPAC Name:
2-methyl-4-phenoxybutanoic acid
InChI:
InChI=1S/C11H14O3/c1-9(11(12)13)7-8-14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)
InChI Key:
OPKOBMICXSNZNM-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)CCOc1ccccc1
Properties
Complexity:
173  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties