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Home Carboxys 4-(Ethoxycarbonyl)-3,5-dimethyl-1h-pyrrole-2-carboxylic acid

4-(Ethoxycarbonyl)-3,5-dimethyl-1h-pyrrole-2-carboxylic acid

CAS No.:
5442-91-1
Catalog Number:
AG00DDV1
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$175
- +
10g
98%
In Stock USA
United States
$313
- +
25g
98%
In Stock USA
United States
$557
- +
Product Description
Catalog Number:
AG00DDV1
Chemical Name:
4-(Ethoxycarbonyl)-3,5-dimethyl-1h-pyrrole-2-carboxylic acid
CAS Number:
5442-91-1
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
MDL Number:
MFCD00030408
IUPAC Name:
4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C10H13NO4/c1-4-15-10(14)7-5(2)8(9(12)13)11-6(7)3/h11H,4H2,1-3H3,(H,12,13)
InChI Key:
DXKYHAPIBYYLJR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)[nH]c(c1C)C(=O)O
NSC Number:
13427
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties