Home Other Building Blocks 4-(2-methoxypropan-2-yl)benzoic acid

4-(2-methoxypropan-2-yl)benzoic acid

CAS No.:
50604-11-0
Catalog Number:
AG01A35D
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
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Product Description
Catalog Number:
AG01A35D
Chemical Name:
4-(2-methoxypropan-2-yl)benzoic acid
CAS Number:
50604-11-0
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD20484015
IUPAC Name:
4-(2-methoxypropan-2-yl)benzoic acid
InChI:
InChI=1S/C11H14O3/c1-11(2,14-3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChI Key:
RVMRYQGFJASPGA-UHFFFAOYSA-N
SMILES:
COC(c1ccc(cc1)C(=O)O)(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:
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:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties