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113444-29-4 | 1-Undecen-3-yn-5-ol, 5-methyl-
CAS No: 113444-29-4 Catalog No: AG0008M9 MDL No:
Product Description
Catalog Number:
AG0008M9
Chemical Name:
1-Undecen-3-yn-5-ol, 5-methyl-
CAS Number:
113444-29-4
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
5-methylundec-1-en-3-yn-5-ol
InChI:
InChI=1S/C12H20O/c1-4-6-8-9-11-12(3,13)10-7-5-2/h5,13H,2,4,6,8-9,11H2,1,3H3
InChI Key:
QRPRFLNGDMOZFF-UHFFFAOYSA-N
SMILES:
CC(C#CC=C)(CCCCCC)O
Properties
Complexity:
206
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:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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