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Home > Aldehydes > 179680-43-4
179680-43-4 | 1H-Pyrrole-2-carboxaldehyde, 5-undecyl-
CAS No: 179680-43-4 Catalog No: AG00276B MDL No:
Product Description
Catalog Number:
AG00276B
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 5-undecyl-
CAS Number:
179680-43-4
Molecular Formula:
C16H27NO
Molecular Weight:
249.3917
IUPAC Name:
5-undecyl-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-9-10-11-15-12-13-16(14-18)17-15/h12-14,17H,2-11H2,1H3
InChI Key:
LCKUHNKZOHQKQG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCc1ccc([nH]1)C=O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.209g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.398g/mol
Monoisotopic Mass:
249.209g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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