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1-TRIDECYNE

CAS No.:
26186-02-7
Catalog Number:
AG002S4K
Molecular Formula:
C13H24
Molecular Weight:
180.3297
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Product Description
Catalog Number:
AG002S4K
Chemical Name:
1-TRIDECYNE
CAS Number:
26186-02-7
Molecular Formula:
C13H24
Molecular Weight:
180.3297
MDL Number:
MFCD00015074
IUPAC Name:
tridec-1-yne
InChI:
InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4-13H2,2H3
InChI Key:
GZEDKDBFUBPZNG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC#C
EC Number:
247-511-7
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.188g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.335g/mol
Monoisotopic Mass:
180.188g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  
Properties