Home Other Building Blocks 4-methoxy-2-(2-methylpropoxy)benzoic acid

4-methoxy-2-(2-methylpropoxy)benzoic acid

CAS No.:
1249464-35-4
Catalog Number:
AG01BCQ0
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
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Product Description
Catalog Number:
AG01BCQ0
Chemical Name:
4-methoxy-2-(2-methylpropoxy)benzoic acid
CAS Number:
1249464-35-4
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD14696290
IUPAC Name:
4-methoxy-2-(2-methylpropoxy)benzoic acid
InChI:
InChI=1S/C12H16O4/c1-8(2)7-16-11-6-9(15-3)4-5-10(11)12(13)14/h4-6,8H,7H2,1-3H3,(H,13,14)
InChI Key:
MILGKKTWSJMZRN-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OCC(C)C)C(=O)O
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties