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141090-36-0 | 2,6-Heptadien-1-ol, 2,4-dimethyl-, 1-acetate
CAS No: 141090-36-0 Catalog No: AG001FW2 MDL No:
Product Description
Catalog Number:
AG001FW2
Chemical Name:
2,6-Heptadien-1-ol, 2,4-dimethyl-, 1-acetate
CAS Number:
141090-36-0
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
acetic acid;2,4-dimethylhepta-2,6-dien-1-ol
InChI:
InChI=1S/C9H16O.C2H4O2/c1-4-5-8(2)6-9(3)7-10;1-2(3)4/h4,6,8,10H,1,5,7H2,2-3H3;1H3,(H,3,4)
InChI Key:
RCFWHSYKWXSDBT-UHFFFAOYSA-N
SMILES:
CC(=CC(CC=C)C)COC(=O)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.141g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.278g/mol
Monoisotopic Mass:
200.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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