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119614-32-3 | 5-Hepten-2-yn-1-ol, 6-methyl-
CAS No: 119614-32-3 Catalog No: AG000PA5 MDL No:
Product Description
Catalog Number:
AG000PA5
Chemical Name:
5-Hepten-2-yn-1-ol, 6-methyl-
CAS Number:
119614-32-3
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
6-methylhept-5-en-2-yn-1-ol
InChI:
InChI=1S/C8H12O/c1-8(2)6-4-3-5-7-9/h6,9H,4,7H2,1-2H3
InChI Key:
GNZOJJLKDCEDKY-UHFFFAOYSA-N
SMILES:
OCC#CCC=C(C)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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