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o-Toluic acid

CAS No.:
118-90-1
Catalog Number:
AG0035FR
Molecular Formula:
C8H8O2
Molecular Weight:
136.1479
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
95%
In Stock USA
United States
$7
- +
500g
99%(HPLC)
In Stock USA
United States
$107
- +
Product Description
Catalog Number:
AG0035FR
Chemical Name:
o-Toluic acid
CAS Number:
118-90-1
Molecular Formula:
C8H8O2
Molecular Weight:
136.1479
MDL Number:
MFCD00002477
IUPAC Name:
2-methylbenzoic acid
InChI:
InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key:
ZWLPBLYKEWSWPD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C
UNII:
9NR3033Y0U
NSC Number:
2193
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.052g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
136.15g/mol
Monoisotopic Mass:
136.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
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Properties