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155268-26-1 | 4-Hepten-6-yn-3-ol, 5-methyl-, (4Z)-
CAS No: 155268-26-1 Catalog No: AG001NRW MDL No:
Product Description
Catalog Number:
AG001NRW
Chemical Name:
4-Hepten-6-yn-3-ol, 5-methyl-, (4Z)-
CAS Number:
155268-26-1
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
5-methylhept-4-en-6-yn-3-ol
InChI:
InChI=1S/C8H12O/c1-4-7(3)6-8(9)5-2/h1,6,8-9H,5H2,2-3H3
InChI Key:
MFODADGKZFEGFO-UHFFFAOYSA-N
SMILES:
C/C(=C/C(CC)O)/C#C
Properties
Complexity:
147
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:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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