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

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

CAS No.:
17106-15-9
Catalog Number:
AG007U8V
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG007U8V
Chemical Name:
5-Acetyl-2,4-dimethyl-1h-pyrrole-3-carboxylic acid
CAS Number:
17106-15-9
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD00982313
IUPAC Name:
5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C9H11NO3/c1-4-7(9(12)13)5(2)10-8(4)6(3)11/h10H,1-3H3,(H,12,13)
InChI Key:
ZGJJSECHXQTROG-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)[nH]c(c1C)C(=O)C
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