Home Other Building Blocks 5-(METHOXYCARBONYL)-4-METHYLPYRIDINE-3-CARBOXYLIC ACID

5-(METHOXYCARBONYL)-4-METHYLPYRIDINE-3-CARBOXYLIC ACID

CAS No.:
18181-21-0
Catalog Number:
AG01DZ16
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG01DZ16
Chemical Name:
5-(METHOXYCARBONYL)-4-METHYLPYRIDINE-3-CARBOXYLIC ACID
CAS Number:
18181-21-0
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD20647237
IUPAC Name:
5-methoxycarbonyl-4-methylpyridine-3-carboxylic acid
InChI:
InChI=1S/C9H9NO4/c1-5-6(8(11)12)3-10-4-7(5)9(13)14-2/h3-4H,1-2H3,(H,11,12)
InChI Key:
ICISDSBCSNJXOA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1C)C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties