Home Other Building Blocks 4-(3,4-dimethylphenoxy)butanoic acid

4-(3,4-dimethylphenoxy)butanoic acid

CAS No.:
22180-03-6
Catalog Number:
AG00JF8L
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
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Product Description
Catalog Number:
AG00JF8L
Chemical Name:
4-(3,4-dimethylphenoxy)butanoic acid
CAS Number:
22180-03-6
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD08556236
IUPAC Name:
4-(3,4-dimethylphenoxy)butanoic acid
InChI:
InChI=1S/C12H16O3/c1-9-5-6-11(8-10(9)2)15-7-3-4-12(13)14/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChI Key:
XCDOHVHQWSFAEN-UHFFFAOYSA-N
SMILES:
OC(=O)CCCOc1ccc(c(c1)C)C
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties