Home Aldehydes 1-(2-methylbutyl)-1H-pyrrole-2-carbaldehyde

1-(2-methylbutyl)-1H-pyrrole-2-carbaldehyde

CAS No.:
13678-71-2
Catalog Number:
AG01BUTH
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
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Product Description
Catalog Number:
AG01BUTH
Chemical Name:
1-(2-methylbutyl)-1H-pyrrole-2-carbaldehyde
CAS Number:
13678-71-2
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
MDL Number:
MFCD16849611
IUPAC Name:
1-(2-methylbutyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C10H15NO/c1-3-9(2)7-11-6-4-5-10(11)8-12/h4-6,8-9H,3,7H2,1-2H3
InChI Key:
VTLOYEZEAGCOPK-UHFFFAOYSA-N
SMILES:
CCC(Cn1cccc1C=O)C
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties