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

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

CAS No.:
938-75-0
Catalog Number:
AG006C2G
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
Pack Size
Purity
Availability
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Price(USD)
Quantity
  
1g
95%
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United States
$322
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Product Description
Catalog Number:
AG006C2G
Chemical Name:
3,4-Dimethyl-1h-pyrrole-2-carboxylic acid ethyl ester
CAS Number:
938-75-0
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD00030365
IUPAC Name:
ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C9H13NO2/c1-4-12-9(11)8-7(3)6(2)5-10-8/h5,10H,4H2,1-3H3
InChI Key:
XUIPYRXOVPTMHC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]cc(c1C)C
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:
2  
Literature
Title Journal
Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20100901
Ethyl 5-formyl-3,4-dimethyl-1H-pyrrole-2-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20090701
Properties