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117438-29-6 | 5-Hepten-2-ol, 6-methyl-, 2-acetate, (2R)-
CAS No: 117438-29-6 Catalog No: AG000EB7 MDL No:
Product Description
Catalog Number:
AG000EB7
Chemical Name:
5-Hepten-2-ol, 6-methyl-, 2-acetate, (2R)-
CAS Number:
117438-29-6
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
acetic acid;6-methylhept-5-en-2-ol
InChI:
InChI=1S/C8H16O.C2H4O2/c1-7(2)5-4-6-8(3)9;1-2(3)4/h5,8-9H,4,6H2,1-3H3;1H3,(H,3,4)
InChI Key:
UKKLMGGOYSHZAQ-UHFFFAOYSA-N
SMILES:
CC(=CCC[C@H](OC(=O)C)C)C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.267g/mol
Monoisotopic Mass:
188.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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