Home Carboxys 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid

3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid

CAS No.:
2386-33-6
Catalog Number:
AG007MWS
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$146
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Product Description
Catalog Number:
AG007MWS
Chemical Name:
3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
CAS Number:
2386-33-6
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD00734952
IUPAC Name:
3-acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C9H11NO3/c1-4-5(2)10-8(9(12)13)7(4)6(3)11/h10H,1-3H3,(H,12,13)
InChI Key:
PPSGKMWFWAXDHT-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(c(c1C)C(=O)C)C(=O)O
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties