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89631-84-5 | 1H-Pyrrole-2-carboxaldehyde, 5-nonyl-
CAS No: 89631-84-5 Catalog No: AG003WZH MDL No:
Product Description
Catalog Number:
AG003WZH
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 5-nonyl-
CAS Number:
89631-84-5
Molecular Formula:
C14H23NO
Molecular Weight:
221.3385
IUPAC Name:
5-nonyl-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-9-13-10-11-14(12-16)15-13/h10-12,15H,2-9H2,1H3
InChI Key:
AEQRJBZYKXKSJW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccc([nH]1)C=O
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.344g/mol
Monoisotopic Mass:
221.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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