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102699-81-0 | 2-Octen-6-yn-1-ol, 3-methyl-, (2E)-
CAS No: 102699-81-0 Catalog No: AG000857 MDL No:
Product Description
Catalog Number:
AG000857
Chemical Name:
2-Octen-6-yn-1-ol, 3-methyl-, (2E)-
CAS Number:
102699-81-0
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
3-methyloct-2-en-6-yn-1-ol
InChI:
InChI=1S/C9H14O/c1-3-4-5-6-9(2)7-8-10/h7,10H,5-6,8H2,1-2H3
InChI Key:
DZVSTVJWZXYAHQ-UHFFFAOYSA-N
SMILES:
C/C(=C\CO)/CCC#CC
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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