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823785-36-0 | 5-Hexadecynal
CAS No: 823785-36-0 Catalog No: AG005DJW MDL No:
Product Description
Catalog Number:
AG005DJW
Chemical Name:
5-Hexadecynal
CAS Number:
823785-36-0
Molecular Formula:
C16H28O
Molecular Weight:
236.3929
IUPAC Name:
hexadec-5-ynal
InChI:
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-10,13-15H2,1H3
InChI Key:
AUIZZMNWZQUQME-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC#CCCCC=O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.214g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.399g/mol
Monoisotopic Mass:
236.214g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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