Home Other Building Blocks 3-Acetylbenzoic acid

3-Acetylbenzoic acid

CAS No.:
586-42-5
Catalog Number:
AG0033KH
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$30
- +
25g
98%
In Stock USA
United States
$119
- +
100g
98%
In Stock USA
United States
$369
- +
Product Description
Catalog Number:
AG0033KH
Chemical Name:
3-Acetylbenzoic acid
CAS Number:
586-42-5
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD00045847
IUPAC Name:
3-acetylbenzoic acid
InChI:
InChI=1S/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12)
InChI Key:
CHZPJUSFUDUEMZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1)C(=O)O
NSC Number:
2932
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
3-Acetyl-benzoic acid. Acta crystallographica. Section E, Structure reports online 20100701
Properties