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87681-30-9 | 4,7-Tridecadiynal
CAS No: 87681-30-9 Catalog No: AG004KA3 MDL No:
Product Description
Catalog Number:
AG004KA3
Chemical Name:
4,7-Tridecadiynal
CAS Number:
87681-30-9
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
trideca-4,7-diynal
InChI:
InChI=1S/C13H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-5,8,11-12H2,1H3
InChI Key:
RGENHOFAODGCHS-UHFFFAOYSA-N
SMILES:
CCCCCC#CCC#CCCC=O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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