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102-58-9 | 5-Octen-4-ol, 2,7-dimethyl-, 4-acetate
CAS No: 102-58-9 Catalog No: AG00068F MDL No:
Product Description
Catalog Number:
AG00068F
Chemical Name:
5-Octen-4-ol, 2,7-dimethyl-, 4-acetate
CAS Number:
102-58-9
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
2-(2,7-dimethyloct-6-en-4-yloxy)acetaldehyde
InChI:
InChI=1S/C12H22O2/c1-10(2)5-6-12(9-11(3)4)14-8-7-13/h5,7,11-12H,6,8-9H2,1-4H3
InChI Key:
WPZHLSFMGCSZMV-UHFFFAOYSA-N
SMILES:
CC(C=CC(OC(=O)C)CC(C)C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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