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

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

CAS No.:
253870-02-9
Catalog Number:
AG00349Y
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$23
- +
5g
96%
In Stock USA
United States
$62
- +
10g
96%
In Stock USA
United States
$99
- +
25g
96%
In Stock USA
United States
$188
- +
100g
96%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG00349Y
Chemical Name:
5-Formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic acid
CAS Number:
253870-02-9
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD06202342
IUPAC Name:
5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C8H9NO3/c1-4-6(3-10)9-5(2)7(4)8(11)12/h3,9H,1-2H3,(H,11,12)
InChI Key:
YCIHQDVIAISDPS-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c(c(c1C)C(=O)O)C
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties