Home Carbonyls 4-(Methoxycarbonyl)-3-methylbenzoic acid

4-(Methoxycarbonyl)-3-methylbenzoic acid

CAS No.:
116934-87-3
Catalog Number:
AG000DEI
Molecular Formula:
C10H9O4-
Molecular Weight:
193.1761
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$75
- +
1g
95%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG000DEI
Chemical Name:
4-(Methoxycarbonyl)-3-methylbenzoic acid
CAS Number:
116934-87-3
Molecular Formula:
C10H9O4-
Molecular Weight:
193.1761
MDL Number:
MFCD17676540
IUPAC Name:
4-methoxycarbonyl-3-methylbenzoic acid
InChI:
InChI=1S/C10H10O4/c1-6-5-7(9(11)12)3-4-8(6)10(13)14-2/h3-5H,1-2H3,(H,11,12)
InChI Key:
HFCRSABBNBNZNG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1C)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:
1.7  
Properties