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83630-87-9 | 1-Hexanol, 2-ethylidene-, (Z)-
CAS No: 83630-87-9 Catalog No: AG0056VM MDL No:
Product Description
Catalog Number:
AG0056VM
Chemical Name:
1-Hexanol, 2-ethylidene-, (Z)-
CAS Number:
83630-87-9
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
IUPAC Name:
2-ethylidenehexan-1-ol
InChI:
InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h4,9H,3,5-7H2,1-2H3
InChI Key:
AITTZSSABXLAKU-UHFFFAOYSA-N
SMILES:
CCCC/C(=C/C)/CO
Properties
Complexity:
84.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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