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Home > Aldehydes > 1499987-58-4
1499987-58-4 | 1-(2-methylbutyl)-1H-pyrrole-3-carbaldehyde
CAS No: 1499987-58-4 Catalog No: AG01BV2E MDL No:MFCD21766270
Product Description
Catalog Number:
AG01BV2E
Chemical Name:
1-(2-methylbutyl)-1H-pyrrole-3-carbaldehyde
CAS Number:
1499987-58-4
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
MDL Number:
MFCD21766270
IUPAC Name:
1-(2-methylbutyl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C10H15NO/c1-3-9(2)6-11-5-4-10(7-11)8-12/h4-5,7-9H,3,6H2,1-2H3
InChI Key:
NDENYVPZJXSWAT-UHFFFAOYSA-N
SMILES:
CCC(Cn1ccc(c1)C=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:
1.7
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