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Home Other Building Blocks 2-Acetylbenzoic acid

2-Acetylbenzoic acid

CAS No.:
577-56-0
Catalog Number:
AG003GBE
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$24
- +
25g
97%
In Stock USA
United States
$95
- +
100g
97%
In Stock USA
United States
$332
- +
Product Description
Catalog Number:
AG003GBE
Chemical Name:
2-Acetylbenzoic acid
CAS Number:
577-56-0
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD00002475
IUPAC Name:
2-acetylbenzoic acid
InChI:
InChI=1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3,(H,11,12)
InChI Key:
QDAWXRKTSATEOP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C(=O)C
EC Number:
209-413-2
NSC Number:
407680
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:
0.8  
Literature
Title Journal
Zosuquidar and an albumin-binding prodrug of zosuquidar reverse multidrug resistance in breast cancer cells of doxorubicin and an albumin-binding prodrug of doxorubicin. Breast cancer research and treatment 20120701
3-Acetyl-benzoic acid. Acta crystallographica. Section E, Structure reports online 20100701
Properties