Home Other Building Blocks 2-Ethyl-3-methoxybenzoic acid

2-Ethyl-3-methoxybenzoic acid

CAS No.:
57598-51-3
Catalog Number:
AG003H71
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$30
- +
5g
98%
In Stock USA
United States
$94
- +
10g
98%
In Stock USA
United States
$137
- +
25g
98%
In Stock USA
United States
$258
- +
Product Description
Catalog Number:
AG003H71
Chemical Name:
2-Ethyl-3-methoxybenzoic acid
CAS Number:
57598-51-3
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD11100772
IUPAC Name:
2-ethyl-3-methoxybenzoic acid
InChI:
InChI=1S/C10H12O3/c1-3-7-8(10(11)12)5-4-6-9(7)13-2/h4-6H,3H2,1-2H3,(H,11,12)
InChI Key:
RXCOEMMGBRUEEG-UHFFFAOYSA-N
SMILES:
COc1cccc(c1CC)C(=O)O
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties