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Home Other Building Blocks 2,4-Dimethylbenzoic acid

2,4-Dimethylbenzoic acid

CAS No.:
611-01-8
Catalog Number:
AG003FUC
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$19
- +
10g
>97%
In Stock USA
United States
$35
- +
25g
98%
In Stock USA
United States
$44
- +
100g
98%
In Stock USA
United States
$94
- +
500g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG003FUC
Chemical Name:
2,4-Dimethylbenzoic acid
CAS Number:
611-01-8
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
MDL Number:
MFCD00002480
IUPAC Name:
2,4-dimethylbenzoic acid
InChI:
InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H,10,11)
InChI Key:
BKYWPNROPGQIFZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)C(=O)O
EC Number:
210-246-2
UNII:
1QJD7P2UWB
NSC Number:
407532
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Conformation of hydrogen-bonded dimeric o-methyl-substituted benzoic acids. Acta crystallographica. Section C, Crystal structure communications 20080401
Identification by gas chromatography-mass spectrometry of the volatile organic compounds emitted from the wood-rotting fungi Serpula lacrymans and Coniophora puteana, and from Pinus sylvestris timber. Mycological research 20040701
Toxicokinetics and metabolism of pseudocumene (1,2,4-trimethylbenzene) after inhalation exposure in rats. International journal of occupational medicine and environmental health 20020101
Properties