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15103-31-8 | 6-Octen-2-ol, 3,7-dimethyl-, 2-acetate
CAS No: 15103-31-8 Catalog No: AG001N1F MDL No:
Product Description
Catalog Number:
AG001N1F
Chemical Name:
6-Octen-2-ol, 3,7-dimethyl-, 2-acetate
CAS Number:
15103-31-8
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
3,7-dimethyloct-6-en-2-yl acetate
InChI:
InChI=1S/C12H22O2/c1-9(2)7-6-8-10(3)11(4)14-12(5)13/h7,10-11H,6,8H2,1-5H3
InChI Key:
ZUFHJEXSOHWOKU-UHFFFAOYSA-N
SMILES:
CC(=CCCC(C(OC(=O)C)C)C)C
EC Number:
239-154-0
Properties
Complexity:
202
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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