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Home Other Building Blocks Methyl 5-acetylsalicylate

Methyl 5-acetylsalicylate

CAS No.:
16475-90-4
Catalog Number:
AG001V3E
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$94
- +
500g
98%
In Stock USA
United States
$357
- +
Product Description
Catalog Number:
AG001V3E
Chemical Name:
Methyl 5-acetylsalicylate
CAS Number:
16475-90-4
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00040924
IUPAC Name:
methyl 5-acetyl-2-hydroxybenzoate
InChI:
InChI=1S/C10H10O4/c1-6(11)7-3-4-9(12)8(5-7)10(13)14-2/h3-5,12H,1-2H3
InChI Key:
XLSMGNNWSRNTIQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1O)C(=O)C
EC Number:
240-532-2
NSC Number:
67867
Properties
Complexity:
236  
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:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Methyl 5-(2-bromo-acet-yl)-2-propoxybenzoate. Acta crystallographica. Section E, Structure reports online 20080701
Properties