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25090-60-2 | 4-Cycloocten-1-ol, 4-phenyl-, 1-acetate
CAS No: 25090-60-2 Catalog No: AG002QGT MDL No:
Product Description
Catalog Number:
AG002QGT
Chemical Name:
4-Cycloocten-1-ol, 4-phenyl-, 1-acetate
CAS Number:
25090-60-2
Molecular Formula:
C16H20O2
Molecular Weight:
244.3288
IUPAC Name:
acetic acid;4-phenylcyclooct-4-en-1-ol
InChI:
InChI=1S/C14H18O.C2H4O2/c15-14-9-5-4-8-13(10-11-14)12-6-2-1-3-7-12;1-2(3)4/h1-3,6-8,14-15H,4-5,9-11H2;1H3,(H,3,4)
InChI Key:
SMOOJSCXWGRECO-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CCCC=C(CC1)c1ccccc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.349g/mol
Monoisotopic Mass:
262.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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