Home Carbonyls 5-(Methoxycarbonyl)nicotinic acid

5-(Methoxycarbonyl)nicotinic acid

CAS No.:
5027-65-6
Catalog Number:
AG00DA8M
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$175
- +
1g
98%
In Stock USA
United States
$300
- +
5g
98%
In Stock USA
United States
$1107
- +
10g
98%
In Stock USA
United States
$1988
- +
Product Description
Catalog Number:
AG00DA8M
Chemical Name:
5-(Methoxycarbonyl)nicotinic acid
CAS Number:
5027-65-6
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD07367955
IUPAC Name:
5-methoxycarbonylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H7NO4/c1-13-8(12)6-2-5(7(10)11)3-9-4-6/h2-4H,1H3,(H,10,11)
InChI Key:
GUXKBDHITFXEJG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cnc1)C(=O)O
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties