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1566-65-0 | Ethenol, 2-phenyl-, 1-acetate, (1E)-
CAS No: 1566-65-0 Catalog No: AG001OUW MDL No:
Product Description
Catalog Number:
AG001OUW
Chemical Name:
Ethenol, 2-phenyl-, 1-acetate, (1E)-
CAS Number:
1566-65-0
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
IUPAC Name:
acetic acid;2-phenylethenol
InChI:
InChI=1S/C8H8O.C2H4O2/c9-7-6-8-4-2-1-3-5-8;1-2(3)4/h1-7,9H;1H3,(H,3,4)
InChI Key:
FVQRWZSKSKLKBH-UHFFFAOYSA-N
SMILES:
CC(=O)O/C=C/c1ccccc1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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