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AA00015

100-09-4 | 4-Methoxybenzoic acid

Packsize Purity Availability Price Discounted Price    Quantity
25g 98% in stock $7.00 $5.00 -   +
100g 98% in stock $10.00 $7.00 -   +

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Description
Catalog Number: AA00015
Chemical Name: 4-Methoxybenzoic acid
CAS Number: 100-09-4
Molecular Formula: C8H8O3
Molecular Weight: 152.1473
MDL Number: MFCD00002542
IUPAC Name: 4-methoxybenzoic acid
InChl: InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChl Key: ZEYHEAKUIGZSGI-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)C(=O)O

 

Computed Properties
Complexity: 136  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 152.047g/mol
Formal Charge: 0
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0
Molecular Weight: 152.149g/mol
Monoisotopic Mass: 152.047g/mol
Rotatable Bond Count: 2  
Topological Polar Surface Area: 46.5A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2  

 

 

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