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Home Carboxys 3-Methyl-1h-pyrrole 2,4-dicarboxylic acid diethyl ester

3-Methyl-1h-pyrrole 2,4-dicarboxylic acid diethyl ester

CAS No.:
5448-16-8
Catalog Number:
AG00DB5Q
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$47
- +
250mg
95%
In Stock USA
United States
$74
- +
1g
95%
In Stock USA
United States
$173
- +
Product Description
Catalog Number:
AG00DB5Q
Chemical Name:
3-Methyl-1h-pyrrole 2,4-dicarboxylic acid diethyl ester
CAS Number:
5448-16-8
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
MDL Number:
MFCD00030385
IUPAC Name:
diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate
InChI:
InChI=1S/C11H15NO4/c1-4-15-10(13)8-6-12-9(7(8)3)11(14)16-5-2/h6,12H,4-5H2,1-3H3
InChI Key:
KJPYNVNXXUELAB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]cc(c1C)C(=O)OCC
NSC Number:
17445
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties