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Home Carboxys 2,4-Dimethyl-1h-pyrrole-3-carboxylic acid ethyl ester

2,4-Dimethyl-1h-pyrrole-3-carboxylic acid ethyl ester

CAS No.:
2199-51-1
Catalog Number:
AG00I4A7
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$37
- +
5g
≥97%
In Stock USA
United States
$89
- +
10g
≥97%
In Stock USA
United States
$130
- +
100g
97%
In Stock USA
United States
$844
- +
Product Description
Catalog Number:
AG00I4A7
Chemical Name:
2,4-Dimethyl-1h-pyrrole-3-carboxylic acid ethyl ester
CAS Number:
2199-51-1
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD01365811
IUPAC Name:
ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C9H13NO2/c1-4-12-9(11)8-6(2)5-10-7(8)3/h5,10H,4H2,1-3H3
InChI Key:
QWSFDUPEOPMXCV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)c[nH]c1C
EC Number:
606-885-5
NSC Number:
13425
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
FerriBRIGHT: a rationally designed fluorescent probe for redox active metals. Journal of the American Chemical Society 20090624
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