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87681-29-6 | 4,7-Tridecadiyn-1-ol
CAS No: 87681-29-6 Catalog No: AG004NT7 MDL No:
Product Description
Catalog Number:
AG004NT7
Chemical Name:
4,7-Tridecadiyn-1-ol
CAS Number:
87681-29-6
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
IUPAC Name:
trideca-4,7-diyn-1-ol
InChI:
InChI=1S/C13H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-5,8,11-13H2,1H3
InChI Key:
USFRFUTUDJGCEF-UHFFFAOYSA-N
SMILES:
CCCCCC#CCC#CCCCO
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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