Home Aldehydes 4-Ethyl-3,5-dimethyl-1h-pyrrole-2-carbaldehyde

4-Ethyl-3,5-dimethyl-1h-pyrrole-2-carbaldehyde

CAS No.:
6250-80-2
Catalog Number:
AG00EC3I
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$69
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00EC3I
Chemical Name:
4-Ethyl-3,5-dimethyl-1h-pyrrole-2-carbaldehyde
CAS Number:
6250-80-2
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD05864532
IUPAC Name:
4-ethyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C9H13NO/c1-4-8-6(2)9(5-11)10-7(8)3/h5,10H,4H2,1-3H3
InChI Key:
VHIKIUXLJPZNCA-UHFFFAOYSA-N
SMILES:
CCc1c(C)[nH]c(c1C)C=O
NSC Number:
81351
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole. Acta crystallographica. Section C, Crystal structure communications 20050901
Properties