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823785-33-7 | 5-Decynal, 4-methyl-
CAS No: 823785-33-7 Catalog No: AG005DJZ MDL No:
Product Description
Catalog Number:
AG005DJZ
Chemical Name:
5-Decynal, 4-methyl-
CAS Number:
823785-33-7
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
4-methyldec-5-ynal
InChI:
InChI=1S/C11H18O/c1-3-4-5-6-8-11(2)9-7-10-12/h10-11H,3-5,7,9H2,1-2H3
InChI Key:
PABJBMXNOIRJEZ-UHFFFAOYSA-N
SMILES:
CCCCC#CC(CCC=O)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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