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82334-20-1 | 11-Dodecen-9-yn-1-ol
CAS No: 82334-20-1 Catalog No: AG00541L MDL No:
Product Description
Catalog Number:
AG00541L
Chemical Name:
11-Dodecen-9-yn-1-ol
CAS Number:
82334-20-1
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
dodec-11-en-9-yn-1-ol
InChI:
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2,13H,1,5-12H2
InChI Key:
PQRCRBZCJIWISU-UHFFFAOYSA-N
SMILES:
OCCCCCCCCC#CC=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:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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