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114807-42-0 | 1-Octanol, 7-methoxy-3,7-dimethyl-, (3S)-
CAS No: 114807-42-0 Catalog No: AG000F9U MDL No:
Product Description
Catalog Number:
AG000F9U
Chemical Name:
1-Octanol, 7-methoxy-3,7-dimethyl-, (3S)-
CAS Number:
114807-42-0
Molecular Formula:
C11H24O2
Molecular Weight:
188.3071
IUPAC Name:
7-methoxy-3,7-dimethyloctan-1-ol
InChI:
InChI=1S/C11H24O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h10,12H,5-9H2,1-4H3
InChI Key:
HAGATCKFXSBCCQ-UHFFFAOYSA-N
SMILES:
OCC[C@H](CCCC(OC)(C)C)C
EC Number:
253-908-6
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.178g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.311g/mol
Monoisotopic Mass:
188.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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