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129443-74-9 | 5-Octen-4-ol, (4S,5E)-
CAS No: 129443-74-9 Catalog No: AG000Z54 MDL No:
Product Description
Catalog Number:
AG000Z54
Chemical Name:
5-Octen-4-ol, (4S,5E)-
CAS Number:
129443-74-9
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
IUPAC Name:
oct-5-en-4-ol
InChI:
InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h5,7-9H,3-4,6H2,1-2H3
InChI Key:
ZHEZULWLWVMTMM-UHFFFAOYSA-N
SMILES:
CC/C=C/[C@H](CCC)O
Properties
Complexity:
76.6
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:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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