Home Other Building Blocks 4-Acetoxymethylbenzoic acid

4-Acetoxymethylbenzoic acid

CAS No.:
15561-46-3
Catalog Number:
AG001O2B
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$75
- +
10g
98%
In Stock USA
United States
$144
- +
25g
98%
In Stock USA
United States
$263
- +
Product Description
Catalog Number:
AG001O2B
Chemical Name:
4-Acetoxymethylbenzoic acid
CAS Number:
15561-46-3
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD01090957
IUPAC Name:
4-(acetyloxymethyl)benzoic acid
InChI:
InChI=1S/C10H10O4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChI Key:
DLMONAQGOXNQGP-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1ccc(cc1)C(=O)O
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties