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60657-70-7 | 2-Methyloct-5-yn-4-ol
CAS No: 60657-70-7 Catalog No: AG003HNU MDL No:MFCD00041690
Product Description
Catalog Number:
AG003HNU
Chemical Name:
2-Methyloct-5-yn-4-ol
CAS Number:
60657-70-7
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD00041690
IUPAC Name:
2-methyloct-5-yn-4-ol
InChI:
InChI=1S/C9H16O/c1-4-5-6-9(10)7-8(2)3/h8-10H,4,7H2,1-3H3
InChI Key:
YBGQRUFRRPFNKW-UHFFFAOYSA-N
SMILES:
CCC#CC(CC(C)C)O
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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