Home Carbonyls 3-Methoxycarbonyl-5-methylbenzoic acid

3-Methoxycarbonyl-5-methylbenzoic acid

CAS No.:
167299-68-5
Catalog Number:
AG001X9U
Molecular Formula:
C10H9O4-
Molecular Weight:
193.1761
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$57
- +
5g
96%
In Stock USA
United States
$175
- +
10g
96%
In Stock USA
United States
$313
- +
25g
96%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG001X9U
Chemical Name:
3-Methoxycarbonyl-5-methylbenzoic acid
CAS Number:
167299-68-5
Molecular Formula:
C10H9O4-
Molecular Weight:
193.1761
MDL Number:
MFCD07363803
IUPAC Name:
3-methoxycarbonyl-5-methylbenzoic acid
InChI:
InChI=1S/C10H10O4/c1-6-3-7(9(11)12)5-8(4-6)10(13)14-2/h3-5H,1-2H3,(H,11,12)
InChI Key:
DJSIZJKPKTXMII-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)cc(c1)C(=O)[O-]
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:
2.2  
Properties